2-(3,5-dimethylpyrazol-1-yl)ethyl-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]azanium

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[2-(4-methoxyphenyl)-7-methylsulfanyl-quinolin-3-yl]methyl]azanium Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[2-(4-methoxyphenyl)-7-methylsulfanyl-3-quinolyl]methyl]ammonium CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)ethyl-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolinyl]methyl]ammonium IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]azanium Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)ethyl-[[2-(4-methoxyphenyl)-7-(methylthio)-3-quinolyl]methyl]ammonium Formula: C25H29N4OS+ MolecularWeight: 433.58896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=NN1CC[NH2+]CC2=C(N=C3C=C(C=CC3=C2)SC)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C25H28N4OS/c1-17-13-18(2)29(28-17)12-11-26-16-21-14-20-7-10-23(31-4)15-24(20)27-25(21)19-5-8-22(30-3)9-6-19/h5-10,13-15,26H,11-12,16H2,1-4H3/p+1