Wednesday, August 31, 2011

http://ChemLookup.com Compounds




CAS RN: 93803-29-3
CAS Name: 3-(4-formyl-1-pyridin-1-iumyl)-1-propanesulfonate
OPENEYE Name: 3-(4-formylpyridin-1-ium-1-yl)propane-1-sulfonate
IUPAC Name: 3-(4-formylpyridin-1-ium-1-yl)propane-1-sulfonate
SYSTEMATIC NAME: 3-(4-methanoylpyridin-1-ium-1-yl)propane-1-sulfonate
MOLECULAR FORMULA: C9H11NO4S
MOLECULAR WEIGHT: 229.25294
SMILES: C1=C[N+](=CC=C1C=O)CCCS(=O)(=O)[O-]
Structure:

CAS RN: 93803-25-9
CAS Name: 3-(2-formyl-1-pyridin-1-iumyl)-1-propanesulfonate
OPENEYE Name: 3-(2-formylpyridin-1-ium-1-yl)propane-1-sulfonate
IUPAC Name: 3-(2-formylpyridin-1-ium-1-yl)propane-1-sulfonate
SYSTEMATIC NAME: 3-(2-methanoylpyridin-1-ium-1-yl)propane-1-sulfonate
MOLECULAR FORMULA: C9H11NO4S
MOLECULAR WEIGHT: 229.25294
SMILES: C1=CC=[N+](C(=C1)C=O)CCCS(=O)(=O)[O-]
Structure:

CAS RN: 93799-03-2
CAS Name: N-[2-(1,3-dioxo-2-isoindolyl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide hydrochloride
OPENEYE Name: N-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide hydrochloride
IUPAC Name: N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide hydrochloride
SYSTEMATIC NAME: N-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide hydrochloride
MOLECULAR FORMULA: C19H24ClN3O3
MOLECULAR WEIGHT: 377.86516
SMILES: CC1(C=C(C(N1)(C)C)C(=O)NCCN2C(=O)C3=CC=CC=C3C2=O)C.Cl
Structure:

CAS RN: 93799-04-3
CAS Name: N-[3-(1,3-dioxo-2-isoindolyl)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide hydrochloride
OPENEYE Name: N-[3-(1,3-dioxoisoindolin-2-yl)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide hydrochloride
IUPAC Name: N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide hydrochloride
SYSTEMATIC NAME: N-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide hydrochloride
MOLECULAR FORMULA: C20H26ClN3O3
MOLECULAR WEIGHT: 391.89174
SMILES: CC1(C=C(C(N1)(C)C)C(=O)NCCCN2C(=O)C3=CC=CC=C3C2=O)C.Cl
Structure:

CAS RN: 93783-49-4
CAS Name: 2-[3-(2-aminoethyl)-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
OPENEYE Name: 2-[3-(2-aminoethyl)-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
IUPAC Name: 2-[3-(2-aminoethyl)-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
SYSTEMATIC NAME: 2-[3-(2-azanylethyl)-2-heptadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
MOLECULAR FORMULA: C24H50ClN3O
MOLECULAR WEIGHT: 432.1263
SMILES: CCCCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CCN.[Cl-]
Structure:

CAS RN: 93783-47-2
CAS Name: 2-[3-(2-aminoethyl)-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
OPENEYE Name: 2-[3-(2-aminoethyl)-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
IUPAC Name: 2-[3-(2-aminoethyl)-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
SYSTEMATIC NAME: 2-[3-(2-azanylethyl)-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
MOLECULAR FORMULA: C22H46ClN3O
MOLECULAR WEIGHT: 404.07314
SMILES: CCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CCN.[Cl-]
Structure:

CAS RN: 93783-44-9
CAS Name: 2-(3-ethyl-2-heneicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate
OPENEYE Name: 2-(3-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate
IUPAC Name: 2-(3-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate
SYSTEMATIC NAME: 2-(3-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate
MOLECULAR FORMULA: C30H63N3O4S
MOLECULAR WEIGHT: 561.90392
SMILES: CCCCCCCCCCCCCCCCCCCCCC1=[N+](CCN1CC)CCN.CCOS(=O)(=O)[O-]
Structure:

CAS RN: 93783-41-6
CAS Name: 2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate
OPENEYE Name: 2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate
IUPAC Name: 2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate
SYSTEMATIC NAME: 2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine; ethyl sulfate
MOLECULAR FORMULA: C26H55N3O4S
MOLECULAR WEIGHT: 505.7976
SMILES: CCCCCCCCCCCCCCCCCC1=[N+](CCN1CC)CCN.CCOS(=O)(=O)[O-]
Structure:

CAS RN: 93783-33-6
CAS Name: methyl sulfate; 2-(3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
OPENEYE Name: methyl sulfate; 2-(3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
IUPAC Name: methyl sulfate; 2-(3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
SYSTEMATIC NAME: methyl sulfate; 2-(3-methyl-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanol
MOLECULAR FORMULA: C18H38N2O5S
MOLECULAR WEIGHT: 394.56972
SMILES: CCCCCCCCCCCC1=[N+](CCN1CCO)C.COS(=O)(=O)[O-]
Structure:

CAS RN: 93783-20-1
CAS Name: 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
OPENEYE Name: 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
IUPAC Name: 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
SYSTEMATIC NAME: 2-[3-(2-hydroxyethyl)-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
MOLECULAR FORMULA: C22H45ClN2O2
MOLECULAR WEIGHT: 405.0579
SMILES: CCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CCO.[Cl-]
Structure:

CAS RN: 93778-00-8
CAS Name: N-[bis(butan-2-ylamino)-methylsilyl]cyclohexanamine
OPENEYE Name: N-[methyl-bis(sec-butylamino)silyl]cyclohexanamine
IUPAC Name: N-[bis(butan-2-ylamino)-methylsilyl]cyclohexanamine
SYSTEMATIC NAME: N-[bis(butan-2-ylamino)-methyl-silyl]cyclohexanamine
MOLECULAR FORMULA: C15H35N3Si
MOLECULAR WEIGHT: 285.544
SMILES: CCC(C)N[Si](C)(NC1CCCCC1)NC(C)CC
Structure:

CAS RN: 93777-99-2
CAS Name: N-[(butan-2-ylamino)-(cyclohexylamino)-methylsilyl]cyclohexanamine
OPENEYE Name: N-[(cyclohexylamino)-methyl-(sec-butylamino)silyl]cyclohexanamine
IUPAC Name: N-[(butan-2-ylamino)-(cyclohexylamino)-methylsilyl]cyclohexanamine
SYSTEMATIC NAME: N-[(butan-2-ylamino)-(cyclohexylamino)-methyl-silyl]cyclohexanamine
MOLECULAR FORMULA: C17H37N3Si
MOLECULAR WEIGHT: 311.58128
SMILES: CCC(C)N[Si](C)(NC1CCCCC1)NC2CCCCC2
Structure:

CAS RN: 93777-98-1
CAS Name: N-[(butan-2-ylamino)-dimethylsilyl]-2-butanamine
OPENEYE Name: N-[dimethyl-(sec-butylamino)silyl]butan-2-amine
IUPAC Name: N-[(butan-2-ylamino)-dimethylsilyl]butan-2-amine
SYSTEMATIC NAME: N-[(butan-2-ylamino)-dimethyl-silyl]butan-2-amine
MOLECULAR FORMULA: C10H26N2Si
MOLECULAR WEIGHT: 202.41234
SMILES: CCC(C)N[Si](C)(C)NC(C)CC
Structure:

CAS RN: 93777-91-4
CAS Name: N-[bis(butan-2-ylamino)-ethenylsilyl]-2-butanamine
OPENEYE Name: N-[bis(sec-butylamino)-vinyl-silyl]butan-2-amine
IUPAC Name: N-[bis(butan-2-ylamino)-ethenylsilyl]butan-2-amine
SYSTEMATIC NAME: N-[bis(butan-2-ylamino)-ethenyl-silyl]butan-2-amine
MOLECULAR FORMULA: C14H33N3Si
MOLECULAR WEIGHT: 271.51742
SMILES: CCC(C)N[Si](C=C)(NC(C)CC)NC(C)CC
Structure:

CAS RN: 93777-23-2
CAS Name: [2,4,6-tris(1-phenylethyl)phenyl] dihydrogen phosphate
OPENEYE Name: [2,4,6-tris(1-phenylethyl)phenyl] dihydrogen phosphate
IUPAC Name: [2,4,6-tris(1-phenylethyl)phenyl] dihydrogen phosphate
SYSTEMATIC NAME: [2,4,6-tris(1-phenylethyl)phenyl] dihydrogen phosphate
MOLECULAR FORMULA: C30H31O4P
MOLECULAR WEIGHT: 486.538501
SMILES: CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)C3=CC=CC=C3)OP(=O)(O)O)C(C)C4=CC=CC=C4
Structure:

CAS RN: 93777-22-1
CAS Name: bis[2,4,6-tris(1-phenylethyl)phenyl] hydrogen phosphate
OPENEYE Name: bis[2,4,6-tris(1-phenylethyl)phenyl] hydrogen phosphate
IUPAC Name: bis[2,4,6-tris(1-phenylethyl)phenyl] hydrogen phosphate
SYSTEMATIC NAME: bis[2,4,6-tris(1-phenylethyl)phenyl] hydrogen phosphate
MOLECULAR FORMULA: C60H59O4P
MOLECULAR WEIGHT: 875.081821
SMILES: CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)C3=CC=CC=C3)OP(=O)(O)OC4=C(C=C(C=C4C(C)C5=CC=CC=C5)C(C)C6=CC=CC=C6)C(C)C7=CC=CC=C7)C(C)C8=CC=CC=C8
Structure:

CAS RN: 93777-16-3
CAS Name: octanoic acid (2-bromo-4-cyano-6-iodophenyl) ester
OPENEYE Name: (2-bromo-4-cyano-6-iodo-phenyl) octanoate
IUPAC Name: (2-bromo-4-cyano-6-iodophenyl) octanoate
SYSTEMATIC NAME: (2-bromanyl-4-cyano-6-iodanyl-phenyl) octanoate
MOLECULAR FORMULA: C15H17BrINO2
MOLECULAR WEIGHT: 450.10945
SMILES: CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)Br
Structure:

CAS RN: 93777-15-2
CAS Name: butanoic acid (2-bromo-4-cyano-6-iodophenyl) ester
OPENEYE Name: (2-bromo-4-cyano-6-iodo-phenyl) butanoate
IUPAC Name: (2-bromo-4-cyano-6-iodophenyl) butanoate
SYSTEMATIC NAME: (2-bromanyl-4-cyano-6-iodanyl-phenyl) butanoate
MOLECULAR FORMULA: C11H9BrINO2
MOLECULAR WEIGHT: 394.00313
SMILES: CCCC(=O)OC1=C(C=C(C=C1I)C#N)Br
Structure:

CAS RN: 93777-09-4
CAS Name: 1-(2-tert-butyldioxypropan-2-yl)-3-methylbenzene
OPENEYE Name: 1-(1-tert-butylperoxy-1-methyl-ethyl)-3-methyl-benzene
IUPAC Name: 1-(2-tert-butylperoxypropan-2-yl)-3-methylbenzene
SYSTEMATIC NAME: 1-(2-tert-butylperoxypropan-2-yl)-3-methyl-benzene
MOLECULAR FORMULA: C14H22O2
MOLECULAR WEIGHT: 222.32328
SMILES: CC1=CC(=CC=C1)C(C)(C)OOC(C)(C)C
Structure:

CAS RN: 93776-98-8
CAS Name: methyl sulfate; 6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
OPENEYE Name: methyl sulfate; 6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
IUPAC Name: methyl sulfate; 6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
SYSTEMATIC NAME: methyl sulfate; 6,7,8-trimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium
MOLECULAR FORMULA: C14H21NO7S
MOLECULAR WEIGHT: 347.38404
SMILES: C[N+]1=CC2=C(C(=C(C=C2CC1)OC)OC)OC.COS(=O)(=O)[O-]
Structure:

CAS RN: 93762-34-6
CAS Name: (E)-2-butenoic acid (2-methyl-1-phenylpropan-2-yl) ester
OPENEYE Name: (1,1-dimethyl-2-phenyl-ethyl) (E)-but-2-enoate
IUPAC Name: (2-methyl-1-phenylpropan-2-yl) (E)-but-2-enoate
SYSTEMATIC NAME: (2-methyl-1-phenyl-propan-2-yl) (E)-but-2-enoate
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: C/C=C/C(=O)OC(C)(C)CC1=CC=CC=C1
Structure:

CAS RN: 93762-32-4
CAS Name: ethyl sulfate; 2-(3-ethyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
OPENEYE Name: ethyl sulfate; 2-(3-ethyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
IUPAC Name: ethyl sulfate; 2-(3-ethyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
SYSTEMATIC NAME: ethyl sulfate; 2-(3-ethyl-2-undecyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol
MOLECULAR FORMULA: C20H42N2O5S
MOLECULAR WEIGHT: 422.62288
SMILES: CCCCCCCCCCCC1=[N+](CCN1CC)CCO.CCOS(=O)(=O)[O-]
Structure:

CAS RN: 93762-30-2
CAS Name: 2-(3-ethyl-2-heneicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol; ethyl sulfate
OPENEYE Name: 2-(3-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol; ethyl sulfate
IUPAC Name: 2-(3-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol; ethyl sulfate
SYSTEMATIC NAME: 2-(3-ethyl-2-henicosyl-4,5-dihydroimidazol-1-ium-1-yl)ethanol; ethyl sulfate
MOLECULAR FORMULA: C30H62N2O5S
MOLECULAR WEIGHT: 562.88868
SMILES: CCCCCCCCCCCCCCCCCCCCCC1=[N+](CCN1CC)CCO.CCOS(=O)(=O)[O-]
Structure:

CAS RN: 93762-28-8
CAS Name: 2-[3-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
OPENEYE Name: 2-[3-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
IUPAC Name: 2-[3-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
SYSTEMATIC NAME: 2-[3-(2-hydroxyethyl)-2-undecyl-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
MOLECULAR FORMULA: C18H37ClN2O2
MOLECULAR WEIGHT: 348.95158
SMILES: CCCCCCCCCCCC1=[N+](CCN1CCO)CCO.[Cl-]
Structure:

CAS RN: 93762-27-7
CAS Name: 2-[2-heneicosyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
OPENEYE Name: 2-[2-henicosyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
IUPAC Name: 2-[2-henicosyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
SYSTEMATIC NAME: 2-[2-henicosyl-3-(2-hydroxyethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride
MOLECULAR FORMULA: C28H57ClN2O2
MOLECULAR WEIGHT: 489.21738
SMILES: CCCCCCCCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CCO.[Cl-]
Structure:

CAS RN: 93476-03-0
CAS Name: 6-methyl-2-piperidinecarboxylic acid 2-(diethylamino)ethyl ester dihydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 6-methylpiperidine-2-carboxylate dihydrochloride
IUPAC Name: 2-(diethylamino)ethyl 6-methylpiperidine-2-carboxylate dihydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 6-methylpiperidine-2-carboxylate dihydrochloride
MOLECULAR FORMULA: C13H28Cl2N2O2
MOLECULAR WEIGHT: 315.27962
SMILES: CCN(CC)CCOC(=O)C1CCCC(N1)C.Cl.Cl
Structure:

CAS RN: 93439-43-1
CAS Name: 1-methyl-8-quinolin-1-iumol chloride
OPENEYE Name: 1-methylquinolin-1-ium-8-ol chloride
IUPAC Name: 1-methylquinolin-1-ium-8-ol chloride
SYSTEMATIC NAME: 1-methylquinolin-1-ium-8-ol chloride
MOLECULAR FORMULA: C10H10ClNO
MOLECULAR WEIGHT: 195.6455
SMILES: C[N+]1=CC=CC2=C1C(=CC=C2)O.[Cl-]
Structure:

CAS RN: 93158-73-7
CAS Name: 2-(dimethylamino)-N-(3,4-dimethyl-5-isoxazolyl)propanamide; 2,4,6-trinitrophenolate
OPENEYE Name: 2-(dimethylamino)-N-(3,4-dimethylisoxazol-5-yl)propanamide; 2,4,6-trinitrophenolate
IUPAC Name: 2-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide; 2,4,6-trinitrophenolate
SYSTEMATIC NAME: 2-(dimethylamino)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide; 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C16H19N6O9-
MOLECULAR WEIGHT: 439.35686
SMILES: CC1=C(ON=C1C)NC(=O)C(C)N(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 92957-22-7
CAS Name: 2-cyclohexyl-2-hydroxy-4-phenyl-3-butynoic acid (1-methyl-4-piperidinyl) ester hydrochloride
OPENEYE Name: (1-methyl-4-piperidyl) 2-cyclohexyl-2-hydroxy-4-phenyl-but-3-ynoate hydrochloride
IUPAC Name: (1-methylpiperidin-4-yl) 2-cyclohexyl-2-hydroxy-4-phenylbut-3-ynoate hydrochloride
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 2-cyclohexyl-2-oxidanyl-4-phenyl-but-3-ynoate hydrochloride
MOLECULAR FORMULA: C22H30ClNO3
MOLECULAR WEIGHT: 391.9315
SMILES: CN1CCC(CC1)OC(=O)C(C#CC2=CC=CC=C2)(C3CCCCC3)O.Cl
Structure:

CAS RN: 92956-71-3
CAS Name: 2-cyclopentyl-2-hydroxy-3-heptynoic acid (1-methyl-4-piperidinyl) ester
OPENEYE Name: (1-methyl-4-piperidyl) 2-cyclopentyl-2-hydroxy-hept-3-ynoate
IUPAC Name: (1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxyhept-3-ynoate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 2-cyclopentyl-2-oxidanyl-hept-3-ynoate
MOLECULAR FORMULA: C18H29NO3
MOLECULAR WEIGHT: 307.42776
SMILES: CCCC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O
Structure:

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