CAS RN: 436096-81-0
CAS Name: (4-ethoxyphenyl)methyl-(2-furanylmethyl)ammonium
OPENEYE Name: (4-ethoxyphenyl)methyl-(2-furylmethyl)ammonium
IUPAC Name: (4-ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
SYSTEMATIC NAME: (4-ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
MOLECULAR FORMULA: C14H18NO2+
MOLECULAR WEIGHT: 232.29822
SMILES: CCOC1=CC=C(C=C1)C[NH2+]CC2=CC=CO2
Structure:
CAS RN: 436096-80-9
CAS Name: (2-ethoxyphenyl)methyl-(2-furanylmethyl)ammonium
OPENEYE Name: (2-ethoxyphenyl)methyl-(2-furylmethyl)ammonium
IUPAC Name: (2-ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
SYSTEMATIC NAME: (2-ethoxyphenyl)methyl-(furan-2-ylmethyl)azanium
MOLECULAR FORMULA: C14H18NO2+
MOLECULAR WEIGHT: 232.29822
SMILES: CCOC1=CC=CC=C1C[NH2+]CC2=CC=CO2
Structure:
CAS RN: 436086-97-4
CAS Name: 4-oxo-4-[4-(1-piperidinyl)anilino]butanoate
OPENEYE Name: 4-oxo-4-[4-(1-piperidyl)anilino]butanoate
IUPAC Name: 4-oxo-4-(4-piperidin-1-ylanilino)butanoate
SYSTEMATIC NAME: 4-oxidanylidene-4-[(4-piperidin-1-ylphenyl)amino]butanoate
MOLECULAR FORMULA: C15H19N2O3-
MOLECULAR WEIGHT: 275.32296
SMILES: C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)[O-]
Structure:
CAS RN: 436099-86-4
CAS Name: 1-(4-piperidin-1-iumyl)azepan-1-ium
OPENEYE Name: 1-piperidin-1-ium-4-ylazepan-1-ium
IUPAC Name: 1-piperidin-1-ium-4-ylazepan-1-ium
SYSTEMATIC NAME: 1-piperidin-1-ium-4-ylazepan-1-ium
MOLECULAR FORMULA: C11H24N2+2
MOLECULAR WEIGHT: 184.32166
SMILES: C1CCC[NH+](CC1)C2CC[NH2+]CC2
Structure:
CAS RN: 436099-97-7
CAS Name: 4-(4-piperidin-1-iumyl)morpholin-4-ium
OPENEYE Name: 4-piperidin-1-ium-4-ylmorpholin-4-ium
IUPAC Name: 4-piperidin-1-ium-4-ylmorpholin-4-ium
SYSTEMATIC NAME: 4-piperidin-1-ium-4-ylmorpholin-4-ium
MOLECULAR FORMULA: C9H20N2O+2
MOLECULAR WEIGHT: 172.2679
SMILES: C1C[NH2+]CCC1[NH+]2CCOCC2
Structure:
CAS RN: 436099-87-5
CAS Name: (2S,6S)-2,6-dimethyl-4-(4-piperidin-1-iumyl)morpholin-4-ium
OPENEYE Name: (2S,6S)-2,6-dimethyl-4-piperidin-1-ium-4-yl-morpholin-4-ium
IUPAC Name: (2S,6S)-2,6-dimethyl-4-piperidin-1-ium-4-ylmorpholin-4-ium
SYSTEMATIC NAME: (2S,6S)-2,6-dimethyl-4-piperidin-1-ium-4-yl-morpholin-4-ium
MOLECULAR FORMULA: C11H24N2O+2
MOLECULAR WEIGHT: 200.32106
SMILES: C[C@H]1C[NH+](C[C@@H](O1)C)C2CC[NH2+]CC2
Structure:
CAS RN: 436099-87-5
CAS Name: (2R,6R)-2,6-dimethyl-4-(4-piperidin-1-iumyl)morpholin-4-ium
OPENEYE Name: (2R,6R)-2,6-dimethyl-4-piperidin-1-ium-4-yl-morpholin-4-ium
IUPAC Name: (2R,6R)-2,6-dimethyl-4-piperidin-1-ium-4-ylmorpholin-4-ium
SYSTEMATIC NAME: (2R,6R)-2,6-dimethyl-4-piperidin-1-ium-4-yl-morpholin-4-ium
MOLECULAR FORMULA: C11H24N2O+2
MOLECULAR WEIGHT: 200.32106
SMILES: C[C@@H]1C[NH+](C[C@H](O1)C)C2CC[NH2+]CC2
Structure:
CAS RN: 436099-87-5
CAS Name: (2S,6R)-2,6-dimethyl-4-(4-piperidin-1-iumyl)morpholin-4-ium
OPENEYE Name: (2S,6R)-2,6-dimethyl-4-piperidin-1-ium-4-yl-morpholin-4-ium
IUPAC Name: (2S,6R)-2,6-dimethyl-4-piperidin-1-ium-4-ylmorpholin-4-ium
SYSTEMATIC NAME: (2S,6R)-2,6-dimethyl-4-piperidin-1-ium-4-yl-morpholin-4-ium
MOLECULAR FORMULA: C11H24N2O+2
MOLECULAR WEIGHT: 200.32106
SMILES: C[C@@H]1C[NH+](C[C@@H](O1)C)C2CC[NH2+]CC2
Structure:
CAS RN: 436099-88-6
CAS Name: 4-methyl-1-(4-piperidin-1-iumyl)piperidin-1-ium
OPENEYE Name: 4-methyl-1-piperidin-1-ium-4-yl-piperidin-1-ium
IUPAC Name: 4-methyl-1-piperidin-1-ium-4-ylpiperidin-1-ium
SYSTEMATIC NAME: 4-methyl-1-piperidin-1-ium-4-yl-piperidin-1-ium
MOLECULAR FORMULA: C11H24N2+2
MOLECULAR WEIGHT: 184.32166
SMILES: CC1CC[NH+](CC1)C2CC[NH2+]CC2
Structure:
CAS RN: 93257-31-9
CAS Name: (1S,2S,4R)-2-hydroxy-1,7,7-trimethyl-4-bicyclo[2.2.1]heptanecarboxylate
OPENEYE Name: (1R,3S,4S)-3-hydroxy-4,7,7-trimethyl-norbornane-1-carboxylate
IUPAC Name: (1S,2S,4R)-2-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-4-carboxylate
SYSTEMATIC NAME: (1S,2S,4R)-1,7,7-trimethyl-2-oxidanyl-bicyclo[2.2.1]heptane-4-carboxylate
MOLECULAR FORMULA: C11H17O3-
MOLECULAR WEIGHT: 197.25088
SMILES: C[C@]12CC[C@](C1(C)C)(C[C@@H]2O)C(=O)[O-]
Structure:
CAS RN: 435341-89-2
CAS Name: 5-tert-butyl-4-[(diethylammonio)methyl]-2-methyl-3-furancarboxylate
OPENEYE Name: 5-tert-butyl-4-[(diethylammonio)methyl]-2-methyl-furan-3-carboxylate
IUPAC Name: 5-tert-butyl-4-[(diethylazaniumyl)methyl]-2-methylfuran-3-carboxylate
SYSTEMATIC NAME: 5-tert-butyl-4-[(diethylazaniumyl)methyl]-2-methyl-furan-3-carboxylate
MOLECULAR FORMULA: C15H25NO3
MOLECULAR WEIGHT: 267.3639
SMILES: CC[NH+](CC)CC1=C(OC(=C1C(=O)[O-])C)C(C)(C)C
Structure:
CAS RN: 351982-48-4
CAS Name: (1R,6R)-6-[oxo-(2-phenylethylamino)methyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1R,6R)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1R,6R)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1R,6R)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C16H18NO3-
MOLECULAR WEIGHT: 272.31902
SMILES: C1C=CC[C@H]([C@@H]1C(=O)NCCC2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 351982-48-4
CAS Name: (1R,6S)-6-[oxo-(2-phenylethylamino)methyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1R,6S)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1R,6S)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1R,6S)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C16H18NO3-
MOLECULAR WEIGHT: 272.31902
SMILES: C1C=CC[C@H]([C@H]1C(=O)NCCC2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 351982-48-4
CAS Name: (1S,6R)-6-[oxo-(2-phenylethylamino)methyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1S,6R)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1S,6R)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1S,6R)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C16H18NO3-
MOLECULAR WEIGHT: 272.31902
SMILES: C1C=CC[C@@H]([C@@H]1C(=O)NCCC2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 351982-48-4
CAS Name: (1S,6S)-6-[oxo-(2-phenylethylamino)methyl]-1-cyclohex-3-enecarboxylate
OPENEYE Name: (1S,6S)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
IUPAC Name: (1S,6S)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
SYSTEMATIC NAME: (1S,6S)-6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylate
MOLECULAR FORMULA: C16H18NO3-
MOLECULAR WEIGHT: 272.31902
SMILES: C1C=CC[C@@H]([C@H]1C(=O)NCCC2=CC=CC=C2)C(=O)[O-]
Structure:
CAS RN: 636-76-0
CAS Name: 3-sulfamoylbenzoate
OPENEYE Name: 3-sulfamoylbenzoate
IUPAC Name: 3-sulfamoylbenzoate
SYSTEMATIC NAME: 3-sulfamoylbenzoate
MOLECULAR FORMULA: C7H6NO4S-
MOLECULAR WEIGHT: 200.19184
SMILES: C1=CC(=CC(=C1)S(=O)(=O)N)C(=O)[O-]
Structure:
CAS RN: 74877-07-9
CAS Name: [(1R)-1-(3,4-dichlorophenyl)ethyl]ammonium
OPENEYE Name: [(1R)-1-(3,4-dichlorophenyl)ethyl]ammonium
IUPAC Name: [(1R)-1-(3,4-dichlorophenyl)ethyl]azanium
SYSTEMATIC NAME: [(1R)-1-(3,4-dichlorophenyl)ethyl]azanium
MOLECULAR FORMULA: C8H10Cl2N+
MOLECULAR WEIGHT: 191.0777
SMILES: C[C@H](C1=CC(=C(C=C1)Cl)Cl)[NH3+]
Structure:
CAS RN: 55775-26-3
CAS Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate
OPENEYE Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate
IUPAC Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate
SYSTEMATIC NAME: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate
MOLECULAR FORMULA: C11H11NO2S
MOLECULAR WEIGHT: 221.27554
SMILES: CC1=[N+](C2=CC=CC=C2S1)CCC(=O)[O-]
Structure:
CAS RN: 68123-42-2
CAS Name: 3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propanoate
OPENEYE Name: 3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propanoate
IUPAC Name: 3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propanoate
SYSTEMATIC NAME: 3-(2-methyl-1,3-benzoxazol-3-ium-3-yl)propanoate
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CC1=[N+](C2=CC=CC=C2O1)CCC(=O)[O-]
Structure:
CAS RN: 32710-88-6
CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetate
OPENEYE Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetate
IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
SYSTEMATIC NAME: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoate
MOLECULAR FORMULA: C13H13N2O2-
MOLECULAR WEIGHT: 229.25452
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)[O-]
Structure:
CAS RN: 414880-35-6
CAS Name: 1-ethyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
OPENEYE Name: 1-ethyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
IUPAC Name: 1-ethyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
SYSTEMATIC NAME: 1-ethyl-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium
MOLECULAR FORMULA: C13H21N3O2+2
MOLECULAR WEIGHT: 251.32474
SMILES: CC[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 312714-12-8
CAS Name: (3aR,4R,9bR)-8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
OPENEYE Name: (3aR,4R,9bR)-8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
IUPAC Name: (3aR,4R,9bR)-8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
SYSTEMATIC NAME: (3aR,4R,9bR)-8-ethanoyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylate
MOLECULAR FORMULA: C15H14NO3-
MOLECULAR WEIGHT: 256.27656
SMILES: CC(=O)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@H]2C=CC3)C(=O)[O-]
Structure:
CAS RN: 28547-15-1
CAS Name: 3-(benzenesulfonamido)benzoate
OPENEYE Name: 3-(benzenesulfonamido)benzoate
IUPAC Name: 3-(benzenesulfonamido)benzoate
SYSTEMATIC NAME: 3-(phenylsulfonylamino)benzoate
MOLECULAR FORMULA: C13H10NO4S-
MOLECULAR WEIGHT: 276.2878
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C(=O)[O-]
Structure:
CAS RN: 69875-89-4
CAS Name: (2-methoxyphenyl)methyl-(phenylmethyl)ammonium
OPENEYE Name: benzyl-[(2-methoxyphenyl)methyl]ammonium
IUPAC Name: benzyl-[(2-methoxyphenyl)methyl]azanium
SYSTEMATIC NAME: (2-methoxyphenyl)methyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C15H18NO+
MOLECULAR WEIGHT: 228.30952
SMILES: COC1=CC=CC=C1C[NH2+]CC2=CC=CC=C2
Structure:
CAS RN: 225236-03-3
CAS Name: 2-furanylmethyl-[(4-methoxyphenyl)methyl]ammonium
OPENEYE Name: 2-furylmethyl-[(4-methoxyphenyl)methyl]ammonium
IUPAC Name: furan-2-ylmethyl-[(4-methoxyphenyl)methyl]azanium
SYSTEMATIC NAME: furan-2-ylmethyl-[(4-methoxyphenyl)methyl]azanium
MOLECULAR FORMULA: C13H16NO2+
MOLECULAR WEIGHT: 218.27164
SMILES: COC1=CC=C(C=C1)C[NH2+]CC2=CC=CO2
Structure:
CAS RN: 83549-10-4
CAS Name: 4-(2-aminoanilino)-4-oxobutanoate
OPENEYE Name: 4-(2-aminoanilino)-4-oxo-butanoate
IUPAC Name: 4-(2-aminoanilino)-4-oxobutanoate
SYSTEMATIC NAME: 4-[(2-aminophenyl)amino]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C10H11N2O3-
MOLECULAR WEIGHT: 207.20594
SMILES: C1=CC=C(C(=C1)N)NC(=O)CCC(=O)[O-]
Structure:
CAS RN: 67342-76-1
CAS Name: (2-chlorophenyl)methyl-(phenylmethyl)ammonium
OPENEYE Name: benzyl-[(2-chlorophenyl)methyl]ammonium
IUPAC Name: benzyl-[(2-chlorophenyl)methyl]azanium
SYSTEMATIC NAME: (2-chlorophenyl)methyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C14H15ClN+
MOLECULAR WEIGHT: 232.7286
SMILES: C1=CC=C(C=C1)C[NH2+]CC2=CC=CC=C2Cl
Structure:
CAS RN: 83178-70-5
CAS Name: 3-[(4R)-5-oxo-2-sulfanylidene-4-imidazolidinyl]propanoate
OPENEYE Name: 3-[(4R)-5-oxo-2-thioxo-imidazolidin-4-yl]propanoate
IUPAC Name: 3-[(4R)-5-oxo-2-sulfanylideneimidazolidin-4-yl]propanoate
SYSTEMATIC NAME: 3-[(4R)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]propanoate
MOLECULAR FORMULA: C6H7N2O3S-
MOLECULAR WEIGHT: 187.19638
SMILES: C(CC(=O)[O-])[C@@H]1C(=O)NC(=S)N1
Structure:
CAS RN: 93344-82-2
CAS Name: (5-acetyl-2-methoxyphenyl)methyl-diethylammonium
OPENEYE Name: (5-acetyl-2-methoxy-phenyl)methyl-diethyl-ammonium
IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl-diethylazanium
SYSTEMATIC NAME: (5-ethanoyl-2-methoxy-phenyl)methyl-diethyl-azanium
MOLECULAR FORMULA: C14H22NO2+
MOLECULAR WEIGHT: 236.32998
SMILES: CC[NH+](CC)CC1=C(C=CC(=C1)C(=O)C)OC
Structure:
CAS RN: 312498-19-4
CAS Name: 1,3-dioxo-2-[[(2S)-2-oxolanyl]methyl]-5-isoindolecarboxylate
OPENEYE Name: 1,3-dioxo-2-[[(2S)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxylate
IUPAC Name: 1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylate
SYSTEMATIC NAME: 1,3-bis(oxidanylidene)-2-[[(2S)-oxolan-2-yl]methyl]isoindole-5-carboxylate
MOLECULAR FORMULA: C14H12NO5-
MOLECULAR WEIGHT: 274.24878
SMILES: C1C[C@H](OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]
Structure:
CAS RN: 312498-19-4
CAS Name: 1,3-dioxo-2-[[(2R)-2-oxolanyl]methyl]-5-isoindolecarboxylate
OPENEYE Name: 1,3-dioxo-2-[[(2R)-tetrahydrofuran-2-yl]methyl]isoindoline-5-carboxylate
IUPAC Name: 1,3-dioxo-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxylate
SYSTEMATIC NAME: 1,3-bis(oxidanylidene)-2-[[(2R)-oxolan-2-yl]methyl]isoindole-5-carboxylate
MOLECULAR FORMULA: C14H12NO5-
MOLECULAR WEIGHT: 274.24878
SMILES: C1C[C@@H](OC1)CN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]
Structure:
CAS RN: 402-13-1
CAS Name: 2-amino-4-(trifluoromethyl)benzoate
OPENEYE Name: 2-amino-4-(trifluoromethyl)benzoate
IUPAC Name: 2-amino-4-(trifluoromethyl)benzoate
SYSTEMATIC NAME: 2-azanyl-4-(trifluoromethyl)benzoate
MOLECULAR FORMULA: C8H5F3NO2-
MOLECULAR WEIGHT: 204.12601
SMILES: C1=CC(=C(C=C1C(F)(F)F)N)C(=O)[O-]
Structure:
CAS RN: 374759-53-2
CAS Name: [(3R)-3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]ammonium
OPENEYE Name: [(3R)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]ammonium
IUPAC Name: [(3R)-3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]azanium
SYSTEMATIC NAME: [(3R)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]azanium
MOLECULAR FORMULA: C17H20NO2+
MOLECULAR WEIGHT: 270.3462
SMILES: C1OC2=C(O1)C=C(C=C2)[C@@H](CC[NH3+])CC3=CC=CC=C3
Structure:
CAS RN: 374759-53-2
CAS Name: [(3S)-3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]ammonium
OPENEYE Name: [(3S)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]ammonium
IUPAC Name: [(3S)-3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]azanium
SYSTEMATIC NAME: [(3S)-3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]azanium
MOLECULAR FORMULA: C17H20NO2+
MOLECULAR WEIGHT: 270.3462
SMILES: C1OC2=C(O1)C=C(C=C2)[C@H](CC[NH3+])CC3=CC=CC=C3
Structure:
CAS RN: 364745-90-4
CAS Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]ammonium
OPENEYE Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]ammonium
IUPAC Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]azanium
SYSTEMATIC NAME: [(3R)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]azanium
MOLECULAR FORMULA: C17H20NO3+
MOLECULAR WEIGHT: 286.3456
SMILES: COC1=CC=CC=C1[C@H](CC[NH3+])C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 364745-90-4
CAS Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]ammonium
OPENEYE Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]ammonium
IUPAC Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]azanium
SYSTEMATIC NAME: [(3S)-3-(1,3-benzodioxol-5-yl)-3-(2-methoxyphenyl)propyl]azanium
MOLECULAR FORMULA: C17H20NO3+
MOLECULAR WEIGHT: 286.3456
SMILES: COC1=CC=CC=C1[C@@H](CC[NH3+])C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 330833-79-9
CAS Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]ammonium
OPENEYE Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]ammonium
IUPAC Name: [(3S)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]azanium
SYSTEMATIC NAME: [(3S)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]azanium
MOLECULAR FORMULA: C16H18NO2+
MOLECULAR WEIGHT: 256.31962
SMILES: C1OC2=C(O1)C=C(C=C2)[C@@H](CC[NH3+])C3=CC=CC=C3
Structure:
CAS RN: 330833-79-9
CAS Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]ammonium
OPENEYE Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]ammonium
IUPAC Name: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenylpropyl]azanium
SYSTEMATIC NAME: [(3R)-3-(1,3-benzodioxol-5-yl)-3-phenyl-propyl]azanium
MOLECULAR FORMULA: C16H18NO2+
MOLECULAR WEIGHT: 256.31962
SMILES: C1OC2=C(O1)C=C(C=C2)[C@H](CC[NH3+])C3=CC=CC=C3
Structure:
CAS RN: 333309-24-3
CAS Name: 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetate
OPENEYE Name: 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetate
IUPAC Name: 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetate
SYSTEMATIC NAME: 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]ethanoate
MOLECULAR FORMULA: C9H8F3N2O2-
MOLECULAR WEIGHT: 233.16723
SMILES: C1CC2=C(C1)N(N=C2C(F)(F)F)CC(=O)[O-]
Structure:
CAS RN: 351436-78-7
CAS Name: (4-chlorophenyl)methyl-[[(2S)-2-oxolanyl]methyl]ammonium
OPENEYE Name: (4-chlorophenyl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]ammonium
IUPAC Name: (4-chlorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]azanium
SYSTEMATIC NAME: (4-chlorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]azanium
MOLECULAR FORMULA: C12H17ClNO+
MOLECULAR WEIGHT: 226.72248
SMILES: C1C[C@H](OC1)C[NH2+]CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 351436-78-7
CAS Name: (4-chlorophenyl)methyl-[[(2R)-2-oxolanyl]methyl]ammonium
OPENEYE Name: (4-chlorophenyl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium
IUPAC Name: (4-chlorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SYSTEMATIC NAME: (4-chlorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
MOLECULAR FORMULA: C12H17ClNO+
MOLECULAR WEIGHT: 226.72248
SMILES: C1C[C@@H](OC1)C[NH2+]CC2=CC=C(C=C2)Cl
Structure:
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