Monday, August 1, 2011

http://ChemLookup.com Compounds




CAS RN: 6941-09-9
CAS Name: 4-(1-pyridin-1-iumylmethyl)benzoic acid bromide
OPENEYE Name: 4-(pyridin-1-ium-1-ylmethyl)benzoic acid bromide
IUPAC Name: 4-(pyridin-1-ium-1-ylmethyl)benzoic acid bromide
SYSTEMATIC NAME: 4-(pyridin-1-ium-1-ylmethyl)benzoic acid bromide
MOLECULAR FORMULA: C13H12BrNO2
MOLECULAR WEIGHT: 294.14388
SMILES: C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C(=O)O.[Br-]
Structure:

CAS RN: 6941-05-5
CAS Name: 1-(2-mercaptoethylamino)-2-methyl-3-buten-2-ol chloride
OPENEYE Name: 2-methyl-1-(2-sulfanylethylamino)but-3-en-2-ol chloride
IUPAC Name: 2-methyl-1-(2-sulfanylethylamino)but-3-en-2-ol chloride
SYSTEMATIC NAME: 2-methyl-1-(2-sulfanylethylamino)but-3-en-2-ol chloride
MOLECULAR FORMULA: C7H15ClNOS-
MOLECULAR WEIGHT: 196.7181
SMILES: CC(CNCCS)(C=C)O.[Cl-]
Structure:

CAS RN: 605-66-3
CAS Name: 4-[[oxo-[4-[oxo-[(4-sulfo-1-naphthalenyl)amino]methyl]phenyl]methyl]amino]-1-naphthalenesulfonic acid; sodium
OPENEYE Name: sodium; 4-[[4-[(4-sulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1-sulfonic acid
IUPAC Name: sodium; 4-[[4-[(4-sulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-1-sulfonic acid
SYSTEMATIC NAME: sodium; 4-[[4-[(4-sulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1-sulfonic acid
MOLECULAR FORMULA: C28H20N2NaO8S2
MOLECULAR WEIGHT: 599.58677
SMILES: C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C5=CC=CC=C54)S(=O)(=O)O.[Na]
Structure:

CAS RN: 7722-54-5
CAS Name: 1-[4-[4-[[[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-oxomethyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-3-methoxy-phenyl]-2-methoxy-phenyl]urea chloride
IUPAC Name: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-2-methoxyphenyl]urea chloride
SYSTEMATIC NAME: 1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[4-[4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]-3-methoxy-phenyl]-2-methoxy-phenyl]urea chloride
MOLECULAR FORMULA: C34H34ClN8O4-
MOLECULAR WEIGHT: 654.13796
SMILES: COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NCCN4)OC)NC(=O)NC5=CC=C(C=C5)C6=NCCN6.[Cl-]
Structure:

CAS RN: 92244-83-2
CAS Name: 2-chloro-N-(2-chloroethyl)-N-(cyclohexylmethyl)ethanamine hydrochloride
OPENEYE Name: 2-chloro-N-(2-chloroethyl)-N-(cyclohexylmethyl)ethanamine hydrochloride
IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-(cyclohexylmethyl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-(cyclohexylmethyl)ethanamine hydrochloride
MOLECULAR FORMULA: C11H22Cl3N
MOLECULAR WEIGHT: 274.65808
SMILES: C1CCC(CC1)CN(CCCl)CCCl.Cl
Structure:

CAS RN: 6628-01-9
CAS Name: 5-ethyl-2,2,5-trimethyl-4-thiazolidinecarboxylic acid chloride
OPENEYE Name: 5-ethyl-2,2,5-trimethyl-thiazolidine-4-carboxylic acid chloride
IUPAC Name: 5-ethyl-2,2,5-trimethyl-1,3-thiazolidine-4-carboxylic acid chloride
SYSTEMATIC NAME: 5-ethyl-2,2,5-trimethyl-1,3-thiazolidine-4-carboxylic acid chloride
MOLECULAR FORMULA: C9H17ClNO2S-
MOLECULAR WEIGHT: 238.75478
SMILES: CCC1(C(NC(S1)(C)C)C(=O)O)C.[Cl-]
Structure:

CAS RN: 6627-90-3
CAS Name: 4-chloro-1-oxidoquinolin-1-ium hydrochloride
OPENEYE Name: 4-chloro-1-oxido-quinolin-1-ium hydrochloride
IUPAC Name: 4-chloro-1-oxidoquinolin-1-ium hydrochloride
SYSTEMATIC NAME: 4-chloranyl-1-oxidanidyl-quinolin-1-ium hydrochloride
MOLECULAR FORMULA: C9H7Cl2NO
MOLECULAR WEIGHT: 216.06398
SMILES: C1=CC=C2C(=C1)C(=CC=[N+]2[O-])Cl.Cl
Structure:

CAS RN: 6940-79-0
CAS Name: 2-(2-mercaptoethylamino)acetic acid hydrochloride
OPENEYE Name: 2-(2-sulfanylethylamino)acetic acid hydrochloride
IUPAC Name: 2-(2-sulfanylethylamino)acetic acid hydrochloride
SYSTEMATIC NAME: 2-(2-sulfanylethylamino)ethanoic acid hydrochloride
MOLECULAR FORMULA: C4H10ClNO2S
MOLECULAR WEIGHT: 171.6457
SMILES: C(CS)NCC(=O)O.Cl
Structure:

CAS RN: 13544-51-9
CAS Name: 3-methoxy-2-(4-methoxyphenyl)-1-benzopyrylium-5,7-diol chloride
OPENEYE Name: 3-methoxy-2-(4-methoxyphenyl)chromenylium-5,7-diol chloride
IUPAC Name: 3-methoxy-2-(4-methoxyphenyl)chromenylium-5,7-diol chloride
SYSTEMATIC NAME: 3-methoxy-2-(4-methoxyphenyl)chromenylium-5,7-diol chloride
MOLECULAR FORMULA: C17H15ClO5
MOLECULAR WEIGHT: 334.751
SMILES: COC1=CC=C(C=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC.[Cl-]
Structure:

CAS RN: 1090-74-0
CAS Name: 2-(4-methoxyphenyl)-1-benzopyrylium-5,7-diol chloride
OPENEYE Name: 2-(4-methoxyphenyl)chromenylium-5,7-diol chloride
IUPAC Name: 2-(4-methoxyphenyl)chromenylium-5,7-diol chloride
SYSTEMATIC NAME: 2-(4-methoxyphenyl)chromenylium-5,7-diol chloride
MOLECULAR FORMULA: C16H13ClO4
MOLECULAR WEIGHT: 304.72502
SMILES: COC1=CC=C(C=C1)C2=[O+]C3=CC(=CC(=C3C=C2)O)O.[Cl-]
Structure:

CAS RN: 6627-59-4
CAS Name: 2-amino-4-chloro-5-methylbenzenesulfonic acid; sodium
OPENEYE Name: 2-amino-4-chloro-5-methyl-benzenesulfonic acid; sodium
IUPAC Name: 2-amino-4-chloro-5-methylbenzenesulfonic acid; sodium
SYSTEMATIC NAME: 2-azanyl-4-chloranyl-5-methyl-benzenesulfonic acid; sodium
MOLECULAR FORMULA: C7H8ClNNaO3S
MOLECULAR WEIGHT: 244.65109
SMILES: CC1=CC(=C(C=C1Cl)N)S(=O)(=O)O.[Na]
Structure:

CAS RN: 17033-59-9
CAS Name: 4-[(5,6-dichloro-1H-benzimidazol-2-yl)methylamino]benzoic acid hydrochloride
OPENEYE Name: 4-[(5,6-dichloro-1H-benzimidazol-2-yl)methylamino]benzoic acid hydrochloride
IUPAC Name: 4-[(5,6-dichloro-1H-benzimidazol-2-yl)methylamino]benzoic acid hydrochloride
SYSTEMATIC NAME: 4-[[5,6-bis(chloranyl)-1H-benzimidazol-2-yl]methylamino]benzoic acid hydrochloride
MOLECULAR FORMULA: C15H12Cl3N3O2
MOLECULAR WEIGHT: 372.63368
SMILES: C1=CC(=CC=C1C(=O)O)NCC2=NC3=CC(=C(C=C3N2)Cl)Cl.Cl
Structure:

CAS RN: 3187-26-6
CAS Name: 4,4-bis(2-chloroethyl)-1-methylpiperidine hydrochloride
OPENEYE Name: 4,4-bis(2-chloroethyl)-1-methyl-piperidine hydrochloride
IUPAC Name: 4,4-bis(2-chloroethyl)-1-methylpiperidine hydrochloride
SYSTEMATIC NAME: 4,4-bis(2-chloroethyl)-1-methyl-piperidine hydrochloride
MOLECULAR FORMULA: C10H20Cl3N
MOLECULAR WEIGHT: 260.6315
SMILES: CN1CCC(CC1)(CCCl)CCCl.Cl
Structure:

CAS RN: 28402-92-8
CAS Name: 2,2-dimethyl-1,3-dihydroisoindol-2-ium bromide
OPENEYE Name: 2,2-dimethylisoindolin-2-ium bromide
IUPAC Name: 2,2-dimethyl-1,3-dihydroisoindol-2-ium bromide
SYSTEMATIC NAME: 2,2-dimethyl-1,3-dihydroisoindol-2-ium bromide
MOLECULAR FORMULA: C10H14BrN
MOLECULAR WEIGHT: 228.12886
SMILES: C[N+]1(CC2=CC=CC=C2C1)C.[Br-]
Structure:

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