Sunday, July 31, 2011

http://ChemLookup.com Compounds




CAS RN: 93007-63-7
CAS Name: N-(phenylmethyl)-2,3-dihydro-1H-inden-2-amine chloride
OPENEYE Name: N-benzylindan-2-amine chloride
IUPAC Name: N-benzyl-2,3-dihydro-1H-inden-2-amine chloride
SYSTEMATIC NAME: N-(phenylmethyl)-2,3-dihydro-1H-inden-2-amine chloride
MOLECULAR FORMULA: C16H17ClN-
MOLECULAR WEIGHT: 258.76588
SMILES: C1C(CC2=CC=CC=C21)NCC3=CC=CC=C3.[Cl-]
Structure:

CAS RN: 913-04-2
CAS Name: N-[5-(diaminomethylideneamino)-1-(2-naphthalenylamino)-1-oxopentan-2-yl]benzamide chloride
OPENEYE Name: N-[4-guanidino-1-(2-naphthylcarbamoyl)butyl]benzamide chloride
IUPAC Name: N-[5-(diaminomethylideneamino)-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide chloride
SYSTEMATIC NAME: N-[5-[bis(azanyl)methylideneamino]-1-(naphthalen-2-ylamino)-1-oxidanylidene-pentan-2-yl]benzamide chloride
MOLECULAR FORMULA: C23H25ClN5O2-
MOLECULAR WEIGHT: 438.9299
SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC3=CC=CC=C3C=C2.[Cl-]
Structure:

CAS RN: 911-77-3
CAS Name: N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide chloride
OPENEYE Name: N-[4-guanidino-1-[(4-nitrophenyl)carbamoyl]butyl]benzamide chloride
IUPAC Name: N-[5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]benzamide chloride
SYSTEMATIC NAME: N-[5-[bis(azanyl)methylideneamino]-1-[(4-nitrophenyl)amino]-1-oxidanylidene-pentan-2-yl]benzamide chloride
MOLECULAR FORMULA: C19H22ClN6O4-
MOLECULAR WEIGHT: 433.86878
SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-].[Cl-]
Structure:

CAS RN: 27894-50-4
CAS Name: 2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester chloride
OPENEYE Name: methyl 2-amino-6-(benzyloxycarbonylamino)hexanoate chloride
IUPAC Name: methyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate chloride
SYSTEMATIC NAME: methyl 2-azanyl-6-(phenylmethoxycarbonylamino)hexanoate chloride
MOLECULAR FORMULA: C15H22ClN2O4-
MOLECULAR WEIGHT: 329.79918
SMILES: COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)N.[Cl-]
Structure:

CAS RN: 14401-10-6
CAS Name: 2-amino-6-(2,4-dinitroanilino)hexanoic acid chloride
OPENEYE Name: 2-amino-6-(2,4-dinitroanilino)hexanoic acid chloride
IUPAC Name: 2-amino-6-(2,4-dinitroanilino)hexanoic acid chloride
SYSTEMATIC NAME: 2-azanyl-6-[(2,4-dinitrophenyl)amino]hexanoic acid chloride
MOLECULAR FORMULA: C12H16ClN4O6-
MOLECULAR WEIGHT: 347.73164
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCC(C(=O)O)N.[Cl-]
Structure:

CAS RN: 3992-42-5
CAS Name: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone chloride
OPENEYE Name: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one chloride
IUPAC Name: 4-amino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one chloride
SYSTEMATIC NAME: 4-azanyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one chloride
MOLECULAR FORMULA: C9H13ClN3O4-
MOLECULAR WEIGHT: 262.67022
SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)CO)O.[Cl-]
Structure:

CAS RN: 1683-49-4
CAS Name: 4-[3-(trifluoromethyl)phenyl]-4-piperidinol chloride
OPENEYE Name: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol chloride
IUPAC Name: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol chloride
SYSTEMATIC NAME: 4-[3-(trifluoromethyl)phenyl]piperidin-4-ol chloride
MOLECULAR FORMULA: C12H14ClF3NO-
MOLECULAR WEIGHT: 280.69387
SMILES: C1CNCCC1(C2=CC(=CC=C2)C(F)(F)F)O.[Cl-]
Structure:

CAS RN: 74051-45-9
CAS Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-one bromide
OPENEYE Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-one bromide
IUPAC Name: 8-methyl-8-azabicyclo[3.2.1]octan-3-one bromide
SYSTEMATIC NAME: 8-methyl-8-azabicyclo[3.2.1]octan-3-one bromide
MOLECULAR FORMULA: C8H13BrNO-
MOLECULAR WEIGHT: 219.09892
SMILES: CN1C2CCC1CC(=O)C2.[Br-]
Structure:

CAS RN: 16179-97-8
CAS Name: 2-(2-pyridinyl)acetic acid chloride
OPENEYE Name: 2-(2-pyridyl)acetic acid chloride
IUPAC Name: 2-pyridin-2-ylacetic acid chloride
SYSTEMATIC NAME: 2-pyridin-2-ylethanoic acid chloride
MOLECULAR FORMULA: C7H7ClNO2-
MOLECULAR WEIGHT: 172.58898
SMILES: C1=CC=NC(=C1)CC(=O)O.[Cl-]
Structure:

CAS RN: 2829-75-6
CAS Name: 4-amino-1,2,5-thiadiazole-3-carboximidamide chloride
OPENEYE Name: 4-amino-1,2,5-thiadiazole-3-carboxamidine chloride
IUPAC Name: 4-amino-1,2,5-thiadiazole-3-carboximidamide chloride
SYSTEMATIC NAME: 4-azanyl-1,2,5-thiadiazole-3-carboximidamide chloride
MOLECULAR FORMULA: C3H5ClN5S-
MOLECULAR WEIGHT: 178.6233
SMILES: C1(=NSN=C1N)C(=N)N.[Cl-]
Structure:

CAS RN: 5015-41-8
CAS Name: 3-(1-pyrrolidinyl)propanoic acid [(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester chloride
OPENEYE Name: [(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-pyrrolidin-1-ylpropanoate chloride
IUPAC Name: [(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-pyrrolidin-1-ylpropanoate chloride
SYSTEMATIC NAME: [(8S,9S,10R,13S,14S,17S)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 3-pyrrolidin-1-ylpropanoate chloride
MOLECULAR FORMULA: C28H43ClNO3-
MOLECULAR WEIGHT: 477.09892
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC(=O)CCN5CCCC5)C)C.[Cl-]
Structure:

CAS RN: 20083-93-6
CAS Name: 2-cyclohexyl-3-methyl-4-(phenylmethyl)morpholine chloride
OPENEYE Name: 4-benzyl-2-cyclohexyl-3-methyl-morpholine chloride
IUPAC Name: 4-benzyl-2-cyclohexyl-3-methylmorpholine chloride
SYSTEMATIC NAME: 2-cyclohexyl-3-methyl-4-(phenylmethyl)morpholine chloride
MOLECULAR FORMULA: C18H27ClNO-
MOLECULAR WEIGHT: 308.86608
SMILES: CC1C(OCCN1CC2=CC=CC=C2)C3CCCCC3.[Cl-]
Structure:

CAS RN: 13049-77-9
CAS Name: 1-methyl-4-oxo-3-piperidinecarboxylic acid methyl ester chloride
OPENEYE Name: methyl 1-methyl-4-oxo-piperidine-3-carboxylate chloride
IUPAC Name: methyl 1-methyl-4-oxopiperidine-3-carboxylate chloride
SYSTEMATIC NAME: methyl 1-methyl-4-oxidanylidene-piperidine-3-carboxylate chloride
MOLECULAR FORMULA: C8H13ClNO3-
MOLECULAR WEIGHT: 206.64672
SMILES: CN1CCC(=O)C(C1)C(=O)OC.[Cl-]
Structure:

CAS RN: 18303-74-7
CAS Name: methanesulfonic acid [(2S,3S)-1,4-bis(dimethylamino)-3-methylsulfonyloxybutan-2-yl] ester chloride
OPENEYE Name: [(1S,2S)-3-(dimethylamino)-1-[(dimethylamino)methyl]-2-methylsulfonyloxy-propyl] methanesulfonate chloride
IUPAC Name: [(2S,3S)-1,4-bis(dimethylamino)-3-methylsulfonyloxybutan-2-yl] methanesulfonate chloride
SYSTEMATIC NAME: [(2S,3S)-1,4-bis(dimethylamino)-3-methylsulfonyloxy-butan-2-yl] methanesulfonate chloride
MOLECULAR FORMULA: C10H24ClN2O6S2-
MOLECULAR WEIGHT: 367.89036
SMILES: CN(C)C[C@@H]([C@H](CN(C)C)OS(=O)(=O)C)OS(=O)(=O)C.[Cl-]
Structure:

CAS RN: 5603-03-2
CAS Name: 3-hydroxy-2-pyridinecarboxylic acid chloride
OPENEYE Name: 3-hydroxypyridine-2-carboxylic acid chloride
IUPAC Name: 3-hydroxypyridine-2-carboxylic acid chloride
SYSTEMATIC NAME: 3-oxidanylpyridine-2-carboxylic acid chloride
MOLECULAR FORMULA: C6H5ClNO3-
MOLECULAR WEIGHT: 174.5618
SMILES: C1=CC(=C(N=C1)C(=O)O)O.[Cl-]
Structure:

CAS RN: 1586-23-8
CAS Name: 7-iodo-11-methylbenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 7-iodo-11-methyl-benzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 7-iodo-11-methylbenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 7-iodanyl-11-methyl-benzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C14H11ClINO4
MOLECULAR WEIGHT: 419.59891
SMILES: CC1=C2C=CC=C(C2=C[N+]3=CC=CC=C13)I.[O-]Cl(=O)(=O)=O
Structure:

CAS RN: 1586-24-9
CAS Name: 9-fluoro-11-methylbenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 9-fluoro-11-methyl-benzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 9-fluoro-11-methylbenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 9-fluoranyl-11-methyl-benzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C14H11ClFNO4
MOLECULAR WEIGHT: 311.692843
SMILES: CC1=C2C=C(C=CC2=C[N+]3=CC=CC=C13)F.[O-]Cl(=O)(=O)=O
Structure:

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