CAS RN: 1193-65-3
CAS Name: 1-azabicyclo[2.2.2]octan-3-one chloride
OPENEYE Name: quinuclidin-3-one chloride
IUPAC Name: 1-azabicyclo[2.2.2]octan-3-one chloride
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octan-3-one chloride
MOLECULAR FORMULA: C7H11ClNO-
MOLECULAR WEIGHT: 160.62134
SMILES: C1CN2CCC1C(=O)C2.[Cl-]
Structure:
CAS RN: 66307-30-0
CAS Name: 1-(3-methoxyphenoxy)-3-[4-(2-methylphenyl)-1-piperazinyl]-2-propanol chloride
OPENEYE Name: 1-(3-methoxyphenoxy)-3-[4-(o-tolyl)piperazin-1-yl]propan-2-ol chloride
IUPAC Name: 1-(3-methoxyphenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol chloride
SYSTEMATIC NAME: 1-(3-methoxyphenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol chloride
MOLECULAR FORMULA: C21H28ClN2O3-
MOLECULAR WEIGHT: 391.91162
SMILES: CC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=CC(=C3)OC)O.[Cl-]
Structure:
CAS RN: 4072-41-7
CAS Name: [4-(2-carboxyethyl)phenyl]-phenyliodonium iodide
OPENEYE Name: [4-(2-carboxyethyl)phenyl]-phenyl-iodonium iodide
IUPAC Name: [4-(2-carboxyethyl)phenyl]-phenyliodanium iodide
SYSTEMATIC NAME: [4-(3-hydroxy-3-oxopropyl)phenyl]-phenyl-iodanium iodide
MOLECULAR FORMULA: C15H14I2O2
MOLECULAR WEIGHT: 480.0794
SMILES: C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CCC(=O)O.[I-]
Structure:
CAS RN: 21074-29-3
CAS Name: 3-butan-2-yl-5-oxo-2H-oxadiazol-3-ium-4-carboxylate
OPENEYE Name: 5-oxo-3-sec-butyl-2H-oxadiazol-3-ium-4-carboxylate
IUPAC Name: 3-butan-2-yl-5-oxo-2H-oxadiazol-3-ium-4-carboxylate
SYSTEMATIC NAME: 3-butan-2-yl-5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-4-carboxylate
MOLECULAR FORMULA: C7H10N2O4
MOLECULAR WEIGHT: 186.1653
SMILES: CCC(C)[N+]1=C(C(=O)ON1)C(=O)[O-]
Structure:
CAS RN: 54097-76-6
CAS Name: 2-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine; nitric acid
OPENEYE Name: 2-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine; nitric acid
IUPAC Name: 2-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine; nitric acid
SYSTEMATIC NAME: 2-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]guanidine; nitric acid
MOLECULAR FORMULA: C11H21N5O3
MOLECULAR WEIGHT: 271.31614
SMILES: CC(=CCC/C(=C/C=N/N=C(N)N)/C)C.[N+](=O)(O)[O-]
Structure:
CAS RN: 1220-63-9
CAS Name: 7-(9-azaspiro[5.5]undecan-9-yl)-1-heptanamine chloride
OPENEYE Name: 7-(9-azaspiro[5.5]undecan-9-yl)heptan-1-amine chloride
IUPAC Name: 7-(9-azaspiro[5.5]undecan-9-yl)heptan-1-amine chloride
SYSTEMATIC NAME: 7-(9-azaspiro[5.5]undecan-9-yl)heptan-1-amine chloride
MOLECULAR FORMULA: C17H34ClN2-
MOLECULAR WEIGHT: 301.91826
SMILES: C1CCC2(CC1)CCN(CC2)CCCCCCCN.[Cl-]
Structure:
CAS RN: 1228-12-2
CAS Name: 4-[3-(4-fluorophenoxy)propyl]-4-azaspiro[4.5]decane hydrochloride
OPENEYE Name: 4-[3-(4-fluorophenoxy)propyl]-4-azaspiro[4.5]decane hydrochloride
IUPAC Name: 4-[3-(4-fluorophenoxy)propyl]-4-azaspiro[4.5]decane hydrochloride
SYSTEMATIC NAME: 4-[3-(4-fluoranylphenoxy)propyl]-4-azaspiro[4.5]decane hydrochloride
MOLECULAR FORMULA: C18H27ClFNO
MOLECULAR WEIGHT: 327.864483
SMILES: C1CCC2(CC1)CCCN2CCCOC3=CC=C(C=C3)F.Cl
Structure:
CAS RN: 64-60-8
CAS Name: 4-(9-azaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)-1-butanone chloride
OPENEYE Name: 4-(9-azaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one chloride
IUPAC Name: 4-(9-azaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one chloride
SYSTEMATIC NAME: 4-(9-azaspiro[5.5]undecan-9-yl)-1-(4-fluorophenyl)butan-1-one chloride
MOLECULAR FORMULA: C20H28ClFNO-
MOLECULAR WEIGHT: 352.893823
SMILES: C1CCC2(CC1)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-]
Structure:
CAS RN: 51304-59-7
CAS Name: 4-phenyl-4-propoxypiperidine chloride
OPENEYE Name: 4-phenyl-4-propoxy-piperidine chloride
IUPAC Name: 4-phenyl-4-propoxypiperidine chloride
SYSTEMATIC NAME: 4-phenyl-4-propoxy-piperidine chloride
MOLECULAR FORMULA: C14H21ClNO-
MOLECULAR WEIGHT: 254.77564
SMILES: CCCOC1(CCNCC1)C2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 4817-43-0
CAS Name: (2S,3S,5S,8R,9S,10S,13S,14S)-2-azido-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
OPENEYE Name: (2S,3S,5S,8R,9S,10S,13S,14S)-2-azido-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
IUPAC Name: (2S,3S,5S,8R,9S,10S,13S,14S)-2-azido-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: (2S,3S,5S,8R,9S,10S,13S,14S)-2-azido-10,13-dimethyl-3-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H29N3O2
MOLECULAR WEIGHT: 331.45246
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N=[N+]=[N-])C
Structure:
CAS RN: 1422-06-6
CAS Name: 4-methoxy-6-methyl-5-(3-phenylpropyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride
OPENEYE Name: 4-methoxy-6-methyl-5-(3-phenylpropyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride
IUPAC Name: 4-methoxy-6-methyl-5-(3-phenylpropyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride
SYSTEMATIC NAME: 4-methoxy-6-methyl-5-(3-phenylpropyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride
MOLECULAR FORMULA: C21H26ClNO3
MOLECULAR WEIGHT: 375.88904
SMILES: CN1CCC2=CC3=C(C(=C2C1CCCC4=CC=CC=C4)OC)OCO3.Cl
Structure:
CAS RN: 17669-18-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26INO4
MOLECULAR WEIGHT: 483.33991
SMILES: C[N+]1(CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=C(C=C4)OC)O)OC)OC)C.[I-]
Structure:
CAS RN: 24387-36-8
CAS Name: 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazol-3-ium chloride
OPENEYE Name: 2,5-diphenyl-3-(4-styrylphenyl)tetrazol-3-ium chloride
IUPAC Name: 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]tetrazol-3-ium chloride
SYSTEMATIC NAME: 2,5-diphenyl-3-[4-(2-phenylethenyl)phenyl]-1,2,3,4-tetrazol-3-ium chloride
MOLECULAR FORMULA: C27H21ClN4
MOLECULAR WEIGHT: 436.93544
SMILES: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]
Structure:
CAS RN: 83763-24-0
CAS Name: N,N-dimethyl-4-phenyl-4-piperidinecarboxamide chloride
OPENEYE Name: N,N-dimethyl-4-phenyl-piperidine-4-carboxamide chloride
IUPAC Name: N,N-dimethyl-4-phenylpiperidine-4-carboxamide chloride
SYSTEMATIC NAME: N,N-dimethyl-4-phenyl-piperidine-4-carboxamide chloride
MOLECULAR FORMULA: C14H20ClN2O-
MOLECULAR WEIGHT: 267.7744
SMILES: CN(C)C(=O)C1(CCNCC1)C2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 1888-09-1
CAS Name: 4-ethoxy-4-phenylpiperidine chloride
OPENEYE Name: 4-ethoxy-4-phenyl-piperidine chloride
IUPAC Name: 4-ethoxy-4-phenylpiperidine chloride
SYSTEMATIC NAME: 4-ethoxy-4-phenyl-piperidine chloride
MOLECULAR FORMULA: C13H19ClNO-
MOLECULAR WEIGHT: 240.74906
SMILES: CCOC1(CCNCC1)C2=CC=CC=C2.[Cl-]
Structure:
CAS RN: 16869-94-6
CAS Name: 1,3-bis(2-fluoroethyl)-5-[2-fluoroethyl(2-hydroxyethyl)amino]pyrimidine-2,4-dione chloride
OPENEYE Name: 1,3-bis(2-fluoroethyl)-5-[2-fluoroethyl(2-hydroxyethyl)amino]pyrimidine-2,4-dione chloride
IUPAC Name: 1,3-bis(2-fluoroethyl)-5-[2-fluoroethyl(2-hydroxyethyl)amino]pyrimidine-2,4-dione chloride
SYSTEMATIC NAME: 1,3-bis(2-fluoranylethyl)-5-[2-fluoranylethyl(2-hydroxyethyl)amino]pyrimidine-2,4-dione chloride
MOLECULAR FORMULA: C12H18ClF3N3O3-
MOLECULAR WEIGHT: 344.73783
SMILES: C1=C(C(=O)N(C(=O)N1CCF)CCF)N(CCO)CCF.[Cl-]
Structure:
CAS RN: 16869-95-7
CAS Name: 5-[2-fluoroethyl(2-hydroxyethyl)amino]-3-(phenylmethyl)-1H-pyrimidine-2,4-dione chloride
OPENEYE Name: 3-benzyl-5-[2-fluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidine-2,4-dione chloride
IUPAC Name: 3-benzyl-5-[2-fluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidine-2,4-dione chloride
SYSTEMATIC NAME: 5-[2-fluoranylethyl(2-hydroxyethyl)amino]-3-(phenylmethyl)-1H-pyrimidine-2,4-dione chloride
MOLECULAR FORMULA: C15H18ClFN3O3-
MOLECULAR WEIGHT: 342.773123
SMILES: C1=CC=C(C=C1)CN2C(=O)C(=CNC2=O)N(CCO)CCF.[Cl-]
Structure:
CAS RN: 16869-92-4
CAS Name: 1,3-bis(2-fluoroethyl)-5-(2-fluoroethylamino)pyrimidine-2,4-dione bromide
OPENEYE Name: 1,3-bis(2-fluoroethyl)-5-(2-fluoroethylamino)pyrimidine-2,4-dione bromide
IUPAC Name: 1,3-bis(2-fluoroethyl)-5-(2-fluoroethylamino)pyrimidine-2,4-dione bromide
SYSTEMATIC NAME: 1,3-bis(2-fluoranylethyl)-5-(2-fluoranylethylamino)pyrimidine-2,4-dione bromide
MOLECULAR FORMULA: C10H14BrF3N3O2-
MOLECULAR WEIGHT: 345.13627
SMILES: C1=C(C(=O)N(C(=O)N1CCF)CCF)NCCF.[Br-]
Structure:
CAS RN: 67362-34-9
CAS Name: 2-[(dimethylamino)methyl]-1-phenyl-1-butanone chloride
OPENEYE Name: 2-[(dimethylamino)methyl]-1-phenyl-butan-1-one chloride
IUPAC Name: 2-[(dimethylamino)methyl]-1-phenylbutan-1-one chloride
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]-1-phenyl-butan-1-one chloride
MOLECULAR FORMULA: C13H19ClNO-
MOLECULAR WEIGHT: 240.74906
SMILES: CCC(CN(C)C)C(=O)C1=CC=CC=C1.[Cl-]
Structure:
CAS RN: 91012-19-0
CAS Name: 3-(4-aminophenyl)propanoic acid methyl ester chloride
OPENEYE Name: methyl 3-(4-aminophenyl)propanoate chloride
IUPAC Name: methyl 3-(4-aminophenyl)propanoate chloride
SYSTEMATIC NAME: methyl 3-(4-aminophenyl)propanoate chloride
MOLECULAR FORMULA: C10H13ClNO2-
MOLECULAR WEIGHT: 214.66872
SMILES: COC(=O)CCC1=CC=C(C=C1)N.[Cl-]
Structure:
CAS RN: 2113-03-3
CAS Name: 1-(diaminomethylidene)-2-(4-phenylbutyl)guanidine hydrochloride
OPENEYE Name: 1-(diaminomethylene)-2-(4-phenylbutyl)guanidine hydrochloride
IUPAC Name: 1-(diaminomethylidene)-2-(4-phenylbutyl)guanidine hydrochloride
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-2-(4-phenylbutyl)guanidine hydrochloride
MOLECULAR FORMULA: C12H20ClN5
MOLECULAR WEIGHT: 269.7737
SMILES: C1=CC=C(C=C1)CCCCN=C(N)N=C(N)N.Cl
Structure:
CAS RN: 4510-76-3
CAS Name: 2-hydroxy-1H-quinolin-4-one; sodium
OPENEYE Name: 2-hydroxy-1H-quinolin-4-one; sodium
IUPAC Name: 2-hydroxy-1H-quinolin-4-one; sodium
SYSTEMATIC NAME: 2-oxidanyl-1H-quinolin-4-one; sodium
MOLECULAR FORMULA: C9H7NNaO2
MOLECULAR WEIGHT: 184.14715
SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)O.[Na]
Structure:
CAS RN: 14519-93-8
CAS Name: [2-[anilino(oxo)methyl]phenyl]methyl-trimethylammonium iodide
OPENEYE Name: trimethyl-[[2-(phenylcarbamoyl)phenyl]methyl]ammonium iodide
IUPAC Name: trimethyl-[[2-(phenylcarbamoyl)phenyl]methyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[[2-(phenylcarbamoyl)phenyl]methyl]azanium iodide
MOLECULAR FORMULA: C17H21IN2O
MOLECULAR WEIGHT: 396.26591
SMILES: C[N+](C)(C)CC1=CC=CC=C1C(=O)NC2=CC=CC=C2.[I-]
Structure:
CAS RN: 3486-76-8
CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-(1H-imidazol-5-yl)propanoic acid hydrochloride
OPENEYE Name: 2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid hydrochloride
IUPAC Name: 2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoic acid hydrochloride
SYSTEMATIC NAME: 2-(2-azanylethanoylamino)-3-(1H-imidazol-5-yl)propanoic acid hydrochloride
MOLECULAR FORMULA: C8H13ClN4O3
MOLECULAR WEIGHT: 248.66682
SMILES: C1=C(NC=N1)CC(C(=O)O)NC(=O)CN.Cl
Structure:
CAS RN: 22456-35-5
CAS Name: 1-(2,4-dichlorophenoxy)-3-(1-piperidinyl)-2-propanol hydrochloride
OPENEYE Name: 1-(2,4-dichlorophenoxy)-3-(1-piperidyl)propan-2-ol hydrochloride
IUPAC Name: 1-(2,4-dichlorophenoxy)-3-piperidin-1-ylpropan-2-ol hydrochloride
SYSTEMATIC NAME: 1-[2,4-bis(chloranyl)phenoxy]-3-piperidin-1-yl-propan-2-ol hydrochloride
MOLECULAR FORMULA: C14H20Cl3NO2
MOLECULAR WEIGHT: 340.6731
SMILES: C1CCN(CC1)CC(COC2=C(C=C(C=C2)Cl)Cl)O.Cl
Structure:
CAS RN: 5177-56-0
CAS Name: N5-methylpyrimidine-2,4,5-triamine hydrochloride
OPENEYE Name: N5-methylpyrimidine-2,4,5-triamine hydrochloride
IUPAC Name: 5-N-methylpyrimidine-2,4,5-triamine hydrochloride
SYSTEMATIC NAME: N5-methylpyrimidine-2,4,5-triamine hydrochloride
MOLECULAR FORMULA: C5H10ClN5
MOLECULAR WEIGHT: 175.6194
SMILES: CNC1=CN=C(N=C1N)N.Cl
Structure:
CAS RN: 2829-76-7
CAS Name: 5-[amino(1-piperidinyl)methylidene]-4-triazolamine hydrochloride
OPENEYE Name: 5-[amino(1-piperidyl)methylene]triazol-4-amine hydrochloride
IUPAC Name: 5-[amino(piperidin-1-yl)methylidene]triazol-4-amine hydrochloride
SYSTEMATIC NAME: 5-[azanyl(piperidin-1-yl)methylidene]-1,2,3-triazol-4-amine hydrochloride
MOLECULAR FORMULA: C8H15ClN6
MOLECULAR WEIGHT: 230.6979
SMILES: C1CCN(CC1)C(=C2C(=NN=N2)N)N.Cl
Structure:
CAS RN: 94074-58-5
CAS Name: N-nitroso-phenoxy-N-(phenylmethyl)phosphonamidic acid; sodium
OPENEYE Name: N-benzyl-N-nitroso-phenoxy-phosphonamidic acid; sodium
IUPAC Name: N-benzyl-N-nitroso-phenoxyphosphonamidic acid; sodium
SYSTEMATIC NAME: N-nitroso-phenoxy-N-(phenylmethyl)phosphonamidic acid; sodium
MOLECULAR FORMULA: C13H13N2NaO4P
MOLECULAR WEIGHT: 315.216851
SMILES: C1=CC=C(C=C1)CN(N=O)P(=O)(O)OC2=CC=CC=C2.[Na]
Structure:
CAS RN: 1483-84-7
CAS Name: (2-chloro-2-phenylethenyl)-phenyliodonium chloride
OPENEYE Name: (2-chloro-2-phenyl-vinyl)-phenyl-iodonium chloride
IUPAC Name: (2-chloro-2-phenylethenyl)-phenyliodanium chloride
SYSTEMATIC NAME: (2-chloranyl-2-phenyl-ethenyl)-phenyl-iodanium chloride
MOLECULAR FORMULA: C14H11Cl2I
MOLECULAR WEIGHT: 377.04761
SMILES: C1=CC=C(C=C1)C(=C[I+]C2=CC=CC=C2)Cl.[Cl-]
Structure:
CAS RN: 29588-43-0
CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-methyl-4-piperidinyl) ester hydrochloride
OPENEYE Name: (1-methyl-4-piperidyl) 2-hydroxy-2,2-diphenyl-acetate hydrochloride
IUPAC Name: (1-methylpiperidin-4-yl) 2-hydroxy-2,2-diphenylacetate hydrochloride
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 2-oxidanyl-2,2-diphenyl-ethanoate hydrochloride
MOLECULAR FORMULA: C20H24ClNO3
MOLECULAR WEIGHT: 361.86246
SMILES: CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 65456-71-5
CAS Name: N-[amino-(5-amino-4-imidazolylidene)methyl]hydroxylamine hydrochloride
OPENEYE Name: N-[amino-(5-aminoimidazol-4-ylidene)methyl]hydroxylamine hydrochloride
IUPAC Name: N-[amino-(5-aminoimidazol-4-ylidene)methyl]hydroxylamine hydrochloride
SYSTEMATIC NAME: N-[azanyl-(5-azanylimidazol-4-ylidene)methyl]hydroxylamine hydrochloride
MOLECULAR FORMULA: C4H8ClN5O
MOLECULAR WEIGHT: 177.59222
SMILES: C1=NC(=C(N)NO)C(=N1)N.Cl
Structure:
CAS RN: 56182-28-6
CAS Name: 4-(2-aminophenyl)butanoic acid hydrochloride
OPENEYE Name: 4-(2-aminophenyl)butanoic acid hydrochloride
IUPAC Name: 4-(2-aminophenyl)butanoic acid hydrochloride
SYSTEMATIC NAME: 4-(2-aminophenyl)butanoic acid hydrochloride
MOLECULAR FORMULA: C10H14ClNO2
MOLECULAR WEIGHT: 215.67666
SMILES: C1=CC=C(C(=C1)CCCC(=O)O)N.Cl
Structure:
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