Saturday, July 30, 2011

http://ChemLookup.com Compounds




CAS RN: 27946-67-4
CAS Name: 2-(4-methoxyphenyl)ethyl-trimethylammonium iodide
OPENEYE Name: 2-(4-methoxyphenyl)ethyl-trimethyl-ammonium iodide
IUPAC Name: 2-(4-methoxyphenyl)ethyl-trimethylazanium iodide
SYSTEMATIC NAME: 2-(4-methoxyphenyl)ethyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C12H20INO
MOLECULAR WEIGHT: 321.19777
SMILES: C[N+](C)(C)CCC1=CC=C(C=C1)OC.[I-]
Structure:

CAS RN: 54547-01-2
CAS Name: N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine hydrochloride
OPENEYE Name: N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine hydrochloride
IUPAC Name: N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine hydrochloride
SYSTEMATIC NAME: N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine hydrochloride
MOLECULAR FORMULA: C13H22ClNO3
MOLECULAR WEIGHT: 275.77168
SMILES: CN(C)CCC1=CC(=C(C(=C1)OC)OC)OC.Cl
Structure:

CAS RN: 45187-32-4
CAS Name: 2,2,3,3,4,4,5,6,6-nonafluoro-5-hexenoic acid; sodium
OPENEYE Name: 2,2,3,3,4,4,5,6,6-nonafluorohex-5-enoic acid; sodium
IUPAC Name: 2,2,3,3,4,4,5,6,6-nonafluorohex-5-enoic acid; sodium
SYSTEMATIC NAME: 2,2,3,3,4,4,5,6,6-nonakis(fluoranyl)hex-5-enoic acid; sodium
MOLECULAR FORMULA: C6HF9NaO2
MOLECULAR WEIGHT: 299.046339
SMILES: C(=C(F)F)(C(C(C(C(=O)O)(F)F)(F)F)(F)F)F.[Na]
Structure:

CAS RN: 26187-67-7
CAS Name: 4-[2-(1-methyl-2-quinolin-1-iumyl)ethenyl]benzene-1,2-diol iodide
OPENEYE Name: 4-[2-(1-methylquinolin-1-ium-2-yl)vinyl]benzene-1,2-diol iodide
IUPAC Name: 4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol iodide
SYSTEMATIC NAME: 4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol iodide
MOLECULAR FORMULA: C18H16INO2
MOLECULAR WEIGHT: 405.22961
SMILES: C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC(=C(C=C3)O)O.[I-]
Structure:

CAS RN: 28672-99-3
CAS Name: 4-[2-(1-methyl-2-pyridin-1-iumyl)ethenyl]benzene-1,2-diol iodide
OPENEYE Name: 4-[2-(1-methylpyridin-1-ium-2-yl)vinyl]benzene-1,2-diol iodide
IUPAC Name: 4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]benzene-1,2-diol iodide
SYSTEMATIC NAME: 4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]benzene-1,2-diol iodide
MOLECULAR FORMULA: C14H14INO2
MOLECULAR WEIGHT: 355.17093
SMILES: C[N+]1=CC=CC=C1C=CC2=CC(=C(C=C2)O)O.[I-]
Structure:

CAS RN: 21915-30-0
CAS Name: 4-[2-(1-methyl-4-pyridin-1-iumyl)ethenyl]benzene-1,2-diol iodide
OPENEYE Name: 4-[2-(1-methylpyridin-1-ium-4-yl)vinyl]benzene-1,2-diol iodide
IUPAC Name: 4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzene-1,2-diol iodide
SYSTEMATIC NAME: 4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzene-1,2-diol iodide
MOLECULAR FORMULA: C14H14INO2
MOLECULAR WEIGHT: 355.17093
SMILES: C[N+]1=CC=C(C=C1)C=CC2=CC(=C(C=C2)O)O.[I-]
Structure:

CAS RN: 41011-95-4
CAS Name: N-[7-[bis(4-chlorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-5-yl]carbamic acid ethyl ester hydrochloride
OPENEYE Name: ethyl N-[7-[bis(4-chlorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate hydrochloride
IUPAC Name: ethyl N-[7-[bis(4-chlorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate hydrochloride
SYSTEMATIC NAME: ethyl N-[7-[bis(4-chlorophenyl)methylamino]-1H-imidazo[4,5-b]pyridin-5-yl]carbamate hydrochloride
MOLECULAR FORMULA: C22H20Cl3N5O2
MOLECULAR WEIGHT: 492.7855
SMILES: CCOC(=O)NC1=NC2=C(C(=C1)NC(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)NC=N2.Cl
Structure:

CAS RN: 80561-30-4
CAS Name: 1-[1-(4-nitrophenyl)-2-phenylethenyl]pyridin-1-ium bromide
OPENEYE Name: 1-[1-(4-nitrophenyl)-2-phenyl-vinyl]pyridin-1-ium bromide
IUPAC Name: 1-[1-(4-nitrophenyl)-2-phenylethenyl]pyridin-1-ium bromide
SYSTEMATIC NAME: 1-[1-(4-nitrophenyl)-2-phenyl-ethenyl]pyridin-1-ium bromide
MOLECULAR FORMULA: C19H15BrN2O2
MOLECULAR WEIGHT: 383.2386
SMILES: C1=CC=C(C=C1)C=C(C2=CC=C(C=C2)[N+](=O)[O-])[N+]3=CC=CC=C3.[Br-]
Structure:

CAS RN: 18709-49-4
CAS Name: 2-amino-1-cyclooctanone hydrochloride
OPENEYE Name: 2-aminocyclooctanone hydrochloride
IUPAC Name: 2-aminocyclooctan-1-one hydrochloride
SYSTEMATIC NAME: 2-azanylcyclooctan-1-one hydrochloride
MOLECULAR FORMULA: C8H16ClNO
MOLECULAR WEIGHT: 177.67174
SMILES: C1CCCC(=O)C(CC1)N.Cl
Structure:

CAS RN: 87061-54-9
CAS Name: 2-benzoyl-3,4,5,6-tetrachlorobenzoic acid; sodium
OPENEYE Name: 2-benzoyl-3,4,5,6-tetrachloro-benzoic acid; sodium
IUPAC Name: 2-benzoyl-3,4,5,6-tetrachlorobenzoic acid; sodium
SYSTEMATIC NAME: sodium; 2,3,4,5-tetrakis(chloranyl)-6-(phenylcarbonyl)benzoic acid
MOLECULAR FORMULA: C14H6Cl4NaO3
MOLECULAR WEIGHT: 386.99741
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O.[Na]
Structure:

CAS RN: 35309-21-8
CAS Name: 2-ethenylpyridine hydrobromide
OPENEYE Name: 2-vinylpyridine hydrobromide
IUPAC Name: 2-ethenylpyridine hydrobromide
SYSTEMATIC NAME: 2-ethenylpyridine hydrobromide
MOLECULAR FORMULA: C7H8BrN
MOLECULAR WEIGHT: 186.04912
SMILES: C=CC1=CC=CC=N1.Br
Structure:

CAS RN: 59435-94-8
CAS Name: 1-dodecyl-4-pyridin-1-iumcarbonitrile bromide
OPENEYE Name: 1-dodecylpyridin-1-ium-4-carbonitrile bromide
IUPAC Name: 1-dodecylpyridin-1-ium-4-carbonitrile bromide
SYSTEMATIC NAME: 1-dodecylpyridin-1-ium-4-carbonitrile bromide
MOLECULAR FORMULA: C18H29BrN2
MOLECULAR WEIGHT: 353.34026
SMILES: CCCCCCCCCCCC[N+]1=CC=C(C=C1)C#N.[Br-]
Structure:

CAS RN: 83350-54-3
CAS Name: 1-decyl-4-pyridin-1-iumcarbonitrile bromide
OPENEYE Name: 1-decylpyridin-1-ium-4-carbonitrile bromide
IUPAC Name: 1-decylpyridin-1-ium-4-carbonitrile bromide
SYSTEMATIC NAME: 1-decylpyridin-1-ium-4-carbonitrile bromide
MOLECULAR FORMULA: C16H25BrN2
MOLECULAR WEIGHT: 325.2871
SMILES: CCCCCCCCCC[N+]1=CC=C(C=C1)C#N.[Br-]
Structure:

CAS RN: 1622-99-7
CAS Name: 1-propyl-4-pyridin-1-iumcarbonitrile iodide
OPENEYE Name: 1-propylpyridin-1-ium-4-carbonitrile iodide
IUPAC Name: 1-propylpyridin-1-ium-4-carbonitrile iodide
SYSTEMATIC NAME: 1-propylpyridin-1-ium-4-carbonitrile iodide
MOLECULAR FORMULA: C9H11IN2
MOLECULAR WEIGHT: 274.10151
SMILES: CCC[N+]1=CC=C(C=C1)C#N.[I-]
Structure:

CAS RN: 13889-99-1
CAS Name: bis(2-aminoethylthio)methanone hydrochloride
OPENEYE Name: bis(2-aminoethylsulfanyl)methanone hydrochloride
IUPAC Name: bis(2-aminoethylsulfanyl)methanone hydrochloride
SYSTEMATIC NAME: bis(2-azanylethylsulfanyl)methanone hydrochloride
MOLECULAR FORMULA: C5H13ClN2OS2
MOLECULAR WEIGHT: 216.75252
SMILES: C(CSC(=O)SCCN)N.Cl
Structure:

CAS RN: 88512-20-3
CAS Name: 3-(2-aminoethylthio)propanoic acid hydrochloride
OPENEYE Name: 3-(2-aminoethylsulfanyl)propanoic acid hydrochloride
IUPAC Name: 3-(2-aminoethylsulfanyl)propanoic acid hydrochloride
SYSTEMATIC NAME: 3-(2-azanylethylsulfanyl)propanoic acid hydrochloride
MOLECULAR FORMULA: C5H12ClNO2S
MOLECULAR WEIGHT: 185.67228
SMILES: C(CSCCN)C(=O)O.Cl
Structure:

CAS RN: 17203-34-8
CAS Name: N-(4-methylphenyl)sulfonyl-2,3-diphenylpropanamide; sodium
OPENEYE Name: 2,3-diphenyl-N-(p-tolylsulfonyl)propanamide; sodium
IUPAC Name: N-(4-methylphenyl)sulfonyl-2,3-diphenylpropanamide; sodium
SYSTEMATIC NAME: N-(4-methylphenyl)sulfonyl-2,3-diphenyl-propanamide; sodium
MOLECULAR FORMULA: C22H21NNaO3S
MOLECULAR WEIGHT: 402.46181
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(CC2=CC=CC=C2)C3=CC=CC=C3.[Na]
Structure:

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