CAS RN: 335-95-5
CAS Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid; sodium
OPENEYE Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid; sodium
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid; sodium
SYSTEMATIC NAME: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)octanoic acid; sodium
MOLECULAR FORMULA: C8HF15NaO2
MOLECULAR WEIGHT: 437.058158
SMILES: C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.[Na]
Structure:
CAS RN: 15352-27-9
CAS Name: 2-azanidylethylazanide; cobalt; dinitrite
OPENEYE Name: 2-azanidylethylazanide; cobalt; dinitrite
IUPAC Name: 2-azanidylethylazanide; cobalt; dinitrite
SYSTEMATIC NAME: 2-azanidylethylazanide; cobalt; dinitrite
MOLECULAR FORMULA: C4H12CoN6O4-6
MOLECULAR WEIGHT: 267.10908
SMILES: C(C[NH-])[NH-].C(C[NH-])[NH-].N(=O)[O-].N(=O)[O-].[Co]
Structure:
CAS RN: 51350-78-8
CAS Name: 2-azanidylethylazanide; cobalt; dinitrite
OPENEYE Name: 2-azanidylethylazanide; cobalt; dinitrite
IUPAC Name: 2-azanidylethylazanide; cobalt; dinitrite
SYSTEMATIC NAME: 2-azanidylethylazanide; cobalt; dinitrite
MOLECULAR FORMULA: C4H12CoN6O4-6
MOLECULAR WEIGHT: 267.10908
SMILES: C(C[NH-])[NH-].C(C[NH-])[NH-].N(=O)[O-].N(=O)[O-].[Co]
Structure:
CAS RN: 92306-07-5
CAS Name: 2-azanidylethylazanide; cobalt; dinitrite
OPENEYE Name: 2-azanidylethylazanide; cobalt; dinitrite
IUPAC Name: 2-azanidylethylazanide; cobalt; dinitrite
SYSTEMATIC NAME: 2-azanidylethylazanide; cobalt; dinitrite
MOLECULAR FORMULA: C4H12CoN6O4-6
MOLECULAR WEIGHT: 267.10908
SMILES: C(C[NH-])[NH-].C(C[NH-])[NH-].N(=O)[O-].N(=O)[O-].[Co]
Structure:
CAS RN: 93627-54-4
CAS Name: 4-methyl-4-propylmorpholin-4-ium iodide
OPENEYE Name: 4-methyl-4-propyl-morpholin-4-ium iodide
IUPAC Name: 4-methyl-4-propylmorpholin-4-ium iodide
SYSTEMATIC NAME: 4-methyl-4-propyl-morpholin-4-ium iodide
MOLECULAR FORMULA: C8H18INO
MOLECULAR WEIGHT: 271.13909
SMILES: CCC[N+]1(CCOCC1)C.[I-]
Structure:
CAS RN: 7209-52-1
CAS Name: cyclohexyl-dimethyl-propylammonium iodide
OPENEYE Name: cyclohexyl-dimethyl-propyl-ammonium iodide
IUPAC Name: cyclohexyl-dimethyl-propylazanium iodide
SYSTEMATIC NAME: cyclohexyl-dimethyl-propyl-azanium iodide
MOLECULAR FORMULA: C11H24IN
MOLECULAR WEIGHT: 297.21943
SMILES: CCC[N+](C)(C)C1CCCCC1.[I-]
Structure:
CAS RN: 7239-45-4
CAS Name: cyclohexyl-ethyl-dimethylammonium iodide
OPENEYE Name: cyclohexyl-ethyl-dimethyl-ammonium iodide
IUPAC Name: cyclohexyl-ethyl-dimethylazanium iodide
SYSTEMATIC NAME: cyclohexyl-ethyl-dimethyl-azanium iodide
MOLECULAR FORMULA: C10H22IN
MOLECULAR WEIGHT: 283.19285
SMILES: CC[N+](C)(C)C1CCCCC1.[I-]
Structure:
CAS RN: 24449-19-2
CAS Name: cyclohexyl(trimethyl)ammonium; 4-methylbenzenesulfonate
OPENEYE Name: cyclohexyl(trimethyl)ammonium; 4-methylbenzenesulfonate
IUPAC Name: cyclohexyl(trimethyl)azanium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: cyclohexyl(trimethyl)azanium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C16H27NO3S
MOLECULAR WEIGHT: 313.45548
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+](C)(C)C1CCCCC1
Structure:
CAS RN: 41225-71-2
CAS Name: 1-cyclohexyl-1-methylpiperidin-1-ium iodide
OPENEYE Name: 1-cyclohexyl-1-methyl-piperidin-1-ium iodide
IUPAC Name: 1-cyclohexyl-1-methylpiperidin-1-ium iodide
SYSTEMATIC NAME: 1-cyclohexyl-1-methyl-piperidin-1-ium iodide
MOLECULAR FORMULA: C12H24IN
MOLECULAR WEIGHT: 309.23013
SMILES: C[N+]1(CCCCC1)C2CCCCC2.[I-]
Structure:
CAS RN: 6230-60-0
CAS Name: (2-ethoxy-2-phenylethenyl)-triphenylphosphonium iodide
OPENEYE Name: (2-ethoxy-2-phenyl-vinyl)-triphenyl-phosphonium iodide
IUPAC Name: (2-ethoxy-2-phenylethenyl)-triphenylphosphanium iodide
SYSTEMATIC NAME: (2-ethoxy-2-phenyl-ethenyl)-triphenyl-phosphanium iodide
MOLECULAR FORMULA: C28H26IOP
MOLECULAR WEIGHT: 536.383671
SMILES: CCOC(=C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[I-]
Structure:
CAS RN: 22058-80-6
CAS Name: dichlorocobalt; (2Z)-2-(2-quinolinylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
OPENEYE Name: dichlorocobalt; (2Z)-2-(2-quinolylmethylene)quinuclidin-3-one
IUPAC Name: dichlorocobalt; (2Z)-2-(quinolin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
SYSTEMATIC NAME: bis(chloranyl)cobalt; (2Z)-2-(quinolin-2-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-one
MOLECULAR FORMULA: C17H16Cl2CoN2O
MOLECULAR WEIGHT: 394.16094
SMILES: C1CN\2CCC1C(=O)/C2=C/C3=NC4=CC=CC=C4C=C3.Cl[Co]Cl
Structure:
CAS RN: 60764-20-7
CAS Name: 1-(phenylmethyl)-3-pyridin-1-iumcarboxaldehyde bromide
OPENEYE Name: 1-benzylpyridin-1-ium-3-carbaldehyde bromide
IUPAC Name: 1-benzylpyridin-1-ium-3-carbaldehyde bromide
SYSTEMATIC NAME: 1-(phenylmethyl)pyridin-1-ium-3-carbaldehyde bromide
MOLECULAR FORMULA: C13H12BrNO
MOLECULAR WEIGHT: 278.14448
SMILES: C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C=O.[Br-]
Structure:
CAS RN: 92020-38-7
CAS Name: (4-bromo-1-methyl-4-piperidinyl)-phenylmethanone hydrobromide
OPENEYE Name: (4-bromo-1-methyl-4-piperidyl)-phenyl-methanone hydrobromide
IUPAC Name: (4-bromo-1-methylpiperidin-4-yl)-phenylmethanone hydrobromide
SYSTEMATIC NAME: (4-bromanyl-1-methyl-piperidin-4-yl)-phenyl-methanone hydrobromide
MOLECULAR FORMULA: C13H17Br2NO
MOLECULAR WEIGHT: 363.08818
SMILES: CN1CCC(CC1)(C(=O)C2=CC=CC=C2)Br.Br
Structure:
CAS RN: 22193-75-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H25ClN2O7
MOLECULAR WEIGHT: 368.8105
SMILES: CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.Cl
Structure:
CAS RN: 24744-64-7
CAS Name: 2,2-dimethoxyethyl-diphenyl-(phenylmethyl)phosphonium bromide
OPENEYE Name: benzyl-(2,2-dimethoxyethyl)-diphenyl-phosphonium bromide
IUPAC Name: benzyl-(2,2-dimethoxyethyl)-diphenylphosphanium bromide
SYSTEMATIC NAME: 2,2-dimethoxyethyl-diphenyl-(phenylmethyl)phosphanium bromide
MOLECULAR FORMULA: C23H26BrO2P
MOLECULAR WEIGHT: 445.329101
SMILES: COC(C[P+](CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC.[Br-]
Structure:
CAS RN: 35956-45-7
CAS Name: acetic acid 4-(dimethylamino)but-2-enyl ester hydrochloride
OPENEYE Name: 4-(dimethylamino)but-2-enyl acetate hydrochloride
IUPAC Name: 4-(dimethylamino)but-2-enyl acetate hydrochloride
SYSTEMATIC NAME: 4-(dimethylamino)but-2-enyl ethanoate hydrochloride
MOLECULAR FORMULA: C8H16ClNO2
MOLECULAR WEIGHT: 193.67114
SMILES: CC(=O)OCC=CCN(C)C.Cl
Structure:
CAS RN: 35956-46-8
CAS Name: 2,2-dimethylpropanoic acid 4-(dimethylamino)but-2-enyl ester hydrochloride
OPENEYE Name: 4-(dimethylamino)but-2-enyl 2,2-dimethylpropanoate hydrochloride
IUPAC Name: 4-(dimethylamino)but-2-enyl 2,2-dimethylpropanoate hydrochloride
SYSTEMATIC NAME: 4-(dimethylamino)but-2-enyl 2,2-dimethylpropanoate hydrochloride
MOLECULAR FORMULA: C11H22ClNO2
MOLECULAR WEIGHT: 235.75088
SMILES: CC(C)(C)C(=O)OCC=CCN(C)C.Cl
Structure:
CAS RN: 35956-43-5
CAS Name: 2,2-dimethylpropanoic acid 4-(4-morpholinyl)but-2-enyl ester hydrochloride
OPENEYE Name: 4-morpholinobut-2-enyl 2,2-dimethylpropanoate hydrochloride
IUPAC Name: 4-morpholin-4-ylbut-2-enyl 2,2-dimethylpropanoate hydrochloride
SYSTEMATIC NAME: 4-morpholin-4-ylbut-2-enyl 2,2-dimethylpropanoate hydrochloride
MOLECULAR FORMULA: C13H24ClNO3
MOLECULAR WEIGHT: 277.78756
SMILES: CC(C)(C)C(=O)OCC=CCN1CCOCC1.Cl
Structure:
CAS RN: 36416-46-3
CAS Name: 2,2-dimethylpropanoic acid 4-(4-morpholinyl)but-2-enyl ester hydrochloride
OPENEYE Name: 4-morpholinobut-2-enyl 2,2-dimethylpropanoate hydrochloride
IUPAC Name: 4-morpholin-4-ylbut-2-enyl 2,2-dimethylpropanoate hydrochloride
SYSTEMATIC NAME: 4-morpholin-4-ylbut-2-enyl 2,2-dimethylpropanoate hydrochloride
MOLECULAR FORMULA: C13H24ClNO3
MOLECULAR WEIGHT: 277.78756
SMILES: CC(C)(C)C(=O)OCC=CCN1CCOCC1.Cl
Structure:
CAS RN: 35956-42-4
CAS Name: acetic acid 4-(4-morpholinyl)but-2-enyl ester hydrochloride
OPENEYE Name: 4-morpholinobut-2-enyl acetate hydrochloride
IUPAC Name: 4-morpholin-4-ylbut-2-enyl acetate hydrochloride
SYSTEMATIC NAME: 4-morpholin-4-ylbut-2-enyl ethanoate hydrochloride
MOLECULAR FORMULA: C10H18ClNO3
MOLECULAR WEIGHT: 235.70782
SMILES: CC(=O)OCC=CCN1CCOCC1.Cl
Structure:
CAS RN: 7293-66-5
CAS Name: (2-cyano-9H-fluoren-9-yl)-triphenylphosphonium bromide
OPENEYE Name: (2-cyano-9H-fluoren-9-yl)-triphenyl-phosphonium bromide
IUPAC Name: (2-cyano-9H-fluoren-9-yl)-triphenylphosphanium bromide
SYSTEMATIC NAME: (2-cyano-9H-fluoren-9-yl)-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C32H23BrNP
MOLECULAR WEIGHT: 532.409481
SMILES: C1=CC=C(C=C1)[P+](C2C3=CC=CC=C3C4=C2C=C(C=C4)C#N)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]
Structure:
CAS RN: 7293-67-6
CAS Name: (2-methyl-9H-fluoren-9-yl)-triphenylphosphonium bromide
OPENEYE Name: (2-methyl-9H-fluoren-9-yl)-triphenyl-phosphonium bromide
IUPAC Name: (2-methyl-9H-fluoren-9-yl)-triphenylphosphanium bromide
SYSTEMATIC NAME: (2-methyl-9H-fluoren-9-yl)-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C32H26BrP
MOLECULAR WEIGHT: 521.426601
SMILES: CC1=CC2=C(C=C1)C3=CC=CC=C3C2[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]
Structure:
CAS RN: 1834-01-1
CAS Name: tributyl-(2-ethoxy-2-oxoethyl)phosphonium bromide
OPENEYE Name: tributyl-(2-ethoxy-2-oxo-ethyl)phosphonium bromide
IUPAC Name: tributyl-(2-ethoxy-2-oxoethyl)phosphanium bromide
SYSTEMATIC NAME: tributyl-(2-ethoxy-2-oxidanylidene-ethyl)phosphanium bromide
MOLECULAR FORMULA: C16H34BrO2P
MOLECULAR WEIGHT: 369.317721
SMILES: CCCC[P+](CCCC)(CCCC)CC(=O)OCC.[Br-]
Structure:
CAS RN: 66307-31-1
CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(3-methylphenoxy)-2-propanol hydrochloride
OPENEYE Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol hydrochloride
IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol hydrochloride
MOLECULAR FORMULA: C21H29ClN2O3
MOLECULAR WEIGHT: 392.91956
SMILES: CC1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O.Cl
Structure:
CAS RN: 19964-08-0
CAS Name: 2-methoxy-1-methylpyridin-1-ium tetrafluoroborate
OPENEYE Name: 2-methoxy-1-methyl-pyridin-1-ium tetrafluoroborate
IUPAC Name: 2-methoxy-1-methylpyridin-1-ium tetrafluoroborate
SYSTEMATIC NAME: 2-methoxy-1-methyl-pyridin-1-ium tetrafluoroborate
MOLECULAR FORMULA: C7H10BF4NO
MOLECULAR WEIGHT: 210.965013
SMILES: [B-](F)(F)(F)F.C[N+]1=CC=CC=C1OC
Structure:
CAS RN: 30777-82-3
CAS Name: O-[(2-methoxy-5-nitrophenyl)methyl]hydroxylamine hydrochloride
OPENEYE Name: O-[(2-methoxy-5-nitro-phenyl)methyl]hydroxylamine hydrochloride
IUPAC Name: O-[(2-methoxy-5-nitrophenyl)methyl]hydroxylamine hydrochloride
SYSTEMATIC NAME: O-[(2-methoxy-5-nitro-phenyl)methyl]hydroxylamine hydrochloride
MOLECULAR FORMULA: C8H11ClN2O4
MOLECULAR WEIGHT: 234.63694
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])CON.Cl
Structure:
CAS RN: 31368-46-4
CAS Name: 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butoxy]benzenesulfonyl fluoride hydrochloride
OPENEYE Name: 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butoxy]benzenesulfonyl fluoride hydrochloride
IUPAC Name: 4-[4-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butoxy]benzenesulfonyl fluoride hydrochloride
SYSTEMATIC NAME: 4-[4-[4-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]butoxy]benzenesulfonyl fluoride hydrochloride
MOLECULAR FORMULA: C21H27ClFN5O3S
MOLECULAR WEIGHT: 483.987183
SMILES: CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCOC3=CC=C(C=C3)S(=O)(=O)F)N)N)C.Cl
Structure:
CAS RN: 30146-49-7
CAS Name: N4-[8-bromo-2-(2-chlorophenyl)-5-pyrido[3,4-b]pyrazinyl]-N1,N1-diethylpentane-1,4-diamine hydrochloride
OPENEYE Name: N4-[8-bromo-2-(2-chlorophenyl)pyrido[3,4-b]pyrazin-5-yl]-N1,N1-diethyl-pentane-1,4-diamine hydrochloride
IUPAC Name: 4-N-[8-bromo-2-(2-chlorophenyl)pyrido[3,4-b]pyrazin-5-yl]-1-N,1-N-diethylpentane-1,4-diamine hydrochloride
SYSTEMATIC NAME: N4-[8-bromanyl-2-(2-chlorophenyl)pyrido[3,4-b]pyrazin-5-yl]-N1,N1-diethyl-pentane-1,4-diamine hydrochloride
MOLECULAR FORMULA: C22H28BrCl2N5
MOLECULAR WEIGHT: 513.30122
SMILES: CCN(CC)CCCC(C)NC1=NC=C(C2=NC(=CN=C21)C3=CC=CC=C3Cl)Br.Cl
Structure:
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