Sunday, July 31, 2011

http://ChemLookup.com Compounds




CAS RN: 1010-61-3
CAS Name: 1-hydroxy-4-quinolinone oxime chloride
OPENEYE Name: 1-hydroxyquinolin-4-one oxime chloride
IUPAC Name: (NE)-N-(1-hydroxyquinolin-4-ylidene)hydroxylamine chloride
SYSTEMATIC NAME: (NE)-N-(1-oxidanylquinolin-4-ylidene)hydroxylamine chloride
MOLECULAR FORMULA: C9H8ClN2O2-
MOLECULAR WEIGHT: 211.62502
SMILES: C1=CC=C2C(=C1)/C(=N/O)/C=CN2O.[Cl-]
Structure:

CAS RN: 3639-53-0
CAS Name: 2-(3,4-dihydroisoquinolin-1-yl)acetamide chloride
OPENEYE Name: 2-(3,4-dihydroisoquinolin-1-yl)acetamide chloride
IUPAC Name: 2-(3,4-dihydroisoquinolin-1-yl)acetamide chloride
SYSTEMATIC NAME: 2-(3,4-dihydroisoquinolin-1-yl)ethanamide chloride
MOLECULAR FORMULA: C11H12ClN2O-
MOLECULAR WEIGHT: 223.67878
SMILES: C1CN=C(C2=CC=CC=C21)CC(=O)N.[Cl-]
Structure:

CAS RN: 18354-32-0
CAS Name: 1-(phenylmethylthio)-2-propanamine chloride
OPENEYE Name: 1-benzylsulfanylpropan-2-amine chloride
IUPAC Name: 1-benzylsulfanylpropan-2-amine chloride
SYSTEMATIC NAME: 1-(phenylmethylsulfanyl)propan-2-amine chloride
MOLECULAR FORMULA: C10H15ClNS-
MOLECULAR WEIGHT: 216.7508
SMILES: CC(CSCC1=CC=CC=C1)N.[Cl-]
Structure:

CAS RN: 52208-11-4
CAS Name: carbamimidothioic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester bromide
OPENEYE Name: 2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]isothiourea bromide
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl carbamimidothioate bromide
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl carbamimidothioate bromide
MOLECULAR FORMULA: C11H11BrN3O2S-
MOLECULAR WEIGHT: 329.19294
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC(=N)N.[Br-]
Structure:

CAS RN: 26323-31-9
CAS Name: 1-(phenylmethyl)-3,4-dihydroisoquinoline chloride
OPENEYE Name: 1-benzyl-3,4-dihydroisoquinoline chloride
IUPAC Name: 1-benzyl-3,4-dihydroisoquinoline chloride
SYSTEMATIC NAME: 1-(phenylmethyl)-3,4-dihydroisoquinoline chloride
MOLECULAR FORMULA: C16H15ClN-
MOLECULAR WEIGHT: 256.75
SMILES: C1CN=C(C2=CC=CC=C21)CC3=CC=CC=C3.[Cl-]
Structure:

CAS RN: 5710-54-3
CAS Name: benzene-1,2-disulfonic acid; potassium
OPENEYE Name: benzene-1,2-disulfonic acid; potassium
IUPAC Name: benzene-1,2-disulfonic acid; potassium
SYSTEMATIC NAME: benzene-1,2-disulfonic acid; potassium
MOLECULAR FORMULA: C6H6KO6S2
MOLECULAR WEIGHT: 277.33654
SMILES: C1=CC=C(C(=C1)S(=O)(=O)O)S(=O)(=O)O.[K]
Structure:

CAS RN: 7041-33-0
CAS Name: 2-(2-chloroethyl)isoquinolin-2-ium chloride
OPENEYE Name: 2-(2-chloroethyl)isoquinolin-2-ium chloride
IUPAC Name: 2-(2-chloroethyl)isoquinolin-2-ium chloride
SYSTEMATIC NAME: 2-(2-chloroethyl)isoquinolin-2-ium chloride
MOLECULAR FORMULA: C11H11Cl2N
MOLECULAR WEIGHT: 228.11774
SMILES: C1=CC=C2C=[N+](C=CC2=C1)CCCl.[Cl-]
Structure:

CAS RN: 16267-08-6
CAS Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purin-6-one hydrochloride
OPENEYE Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purin-6-one hydrochloride
IUPAC Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purin-6-one hydrochloride
SYSTEMATIC NAME: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purin-6-one hydrochloride
MOLECULAR FORMULA: C15H16Cl3N5O
MOLECULAR WEIGHT: 388.67944
SMILES: C1=CC(=CC=C1N2C=NC3=C2NC=NC3=O)N(CCCl)CCCl.Cl
Structure:

CAS RN: 17162-32-2
CAS Name: 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]-1-piperazinyl]-1-propanol hydrochloride
OPENEYE Name: 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol hydrochloride
IUPAC Name: 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol hydrochloride
SYSTEMATIC NAME: 3-[4-[3-(2-chloranyl-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol hydrochloride
MOLECULAR FORMULA: C23H30Cl2N2OS
MOLECULAR WEIGHT: 453.4681
SMILES: C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCCO.Cl
Structure:

CAS RN: 1553-34-0
CAS Name: 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine chloride
OPENEYE Name: 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine chloride
IUPAC Name: 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine chloride
SYSTEMATIC NAME: 1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine chloride
MOLECULAR FORMULA: C20H23ClNS-
MOLECULAR WEIGHT: 344.92132
SMILES: CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24.[Cl-]
Structure:

CAS RN: 61866-77-1
CAS Name: 2-[2-(methylamino)propyl]phenol chloride
OPENEYE Name: 2-[2-(methylamino)propyl]phenol chloride
IUPAC Name: 2-[2-(methylamino)propyl]phenol chloride
SYSTEMATIC NAME: 2-[2-(methylamino)propyl]phenol chloride
MOLECULAR FORMULA: C10H15ClNO-
MOLECULAR WEIGHT: 200.6852
SMILES: CC(CC1=CC=CC=C1O)NC.[Cl-]
Structure:

CAS RN: 10129-70-1
CAS Name: 1-methyl-4-(2-phenylethenyl)pyridin-1-ium iodide
OPENEYE Name: 1-methyl-4-styryl-pyridin-1-ium iodide
IUPAC Name: 1-methyl-4-(2-phenylethenyl)pyridin-1-ium iodide
SYSTEMATIC NAME: 1-methyl-4-(2-phenylethenyl)pyridin-1-ium iodide
MOLECULAR FORMULA: C14H14IN
MOLECULAR WEIGHT: 323.17213
SMILES: C[N+]1=CC=C(C=C1)C=CC2=CC=CC=C2.[I-]
Structure:

CAS RN: 5737-51-9
CAS Name: 1-[2-hydroxy-3-[[[4-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)anilino]-oxomethyl]amino]propyl]-3-[4-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
OPENEYE Name: 1-[2-hydroxy-3-[[4-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]propyl]-3-[4-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
IUPAC Name: 1-[2-hydroxy-3-[[4-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]propyl]-3-[4-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
SYSTEMATIC NAME: 1-[2-oxidanyl-3-[[4-(5-oxidanyl-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]carbamoylamino]propyl]-3-[4-(5-oxidanyl-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea chloride
MOLECULAR FORMULA: C25H32ClN8O5-
MOLECULAR WEIGHT: 560.02518
SMILES: C1C(CN=C(N1)C2=CC=C(C=C2)NC(=O)NCC(CNC(=O)NC3=CC=C(C=C3)C4=NCC(CN4)O)O)O.[Cl-]
Structure:

CAS RN: 10122-07-3
CAS Name: 4-[4-[amino-[4-[amino(methylimino)methyl]phenyl]iminomethyl]phenyl]-N'-[4-[amino(methylimino)methyl]phenyl]benzenecarboximidamide chloride
OPENEYE Name: N'-[4-(N'-methylcarbamimidoyl)phenyl]-4-[4-[N'-[4-(N'-methylcarbamimidoyl)phenyl]carbamimidoyl]phenyl]benzamidine chloride
IUPAC Name: N'-[4-(N'-methylcarbamimidoyl)phenyl]-4-[4-[N'-[4-(N'-methylcarbamimidoyl)phenyl]carbamimidoyl]phenyl]benzenecarboximidamide chloride
SYSTEMATIC NAME: N'-[4-(N'-methylcarbamimidoyl)phenyl]-4-[4-[N'-[4-(N'-methylcarbamimidoyl)phenyl]carbamimidoyl]phenyl]benzenecarboximidamide chloride
MOLECULAR FORMULA: C30H30ClN8-
MOLECULAR WEIGHT: 538.0658
SMILES: CN=C(C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)C3=CC=C(C=C3)C(=NC4=CC=C(C=C4)C(=NC)N)N)N)N.[Cl-]
Structure:

CAS RN: 25058-30-4
CAS Name: 6,11-dimethylbenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 6,11-dimethylbenzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 6,11-dimethylbenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 6,11-dimethylbenzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C15H14ClNO4
MOLECULAR WEIGHT: 307.72896
SMILES: CC1=C2C=CC=C[N+]2=C(C3=CC=CC=C13)C.[O-]Cl(=O)(=O)=O
Structure:

CAS RN: 1695-44-9
CAS Name: 7,9-dichlorobenzo[b]quinolizin-5-ium perchlorate
OPENEYE Name: 7,9-dichlorobenzo[b]quinolizin-5-ium perchlorate
IUPAC Name: 7,9-dichlorobenzo[b]quinolizin-5-ium perchlorate
SYSTEMATIC NAME: 7,9-bis(chloranyl)benzo[b]quinolizin-5-ium perchlorate
MOLECULAR FORMULA: C13H8Cl3NO4
MOLECULAR WEIGHT: 348.56592
SMILES: C1=CC=[N+]2C=C3C(=CC2=C1)C=C(C=C3Cl)Cl.[O-]Cl(=O)(=O)=O
Structure:

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