[2-(4-ethanoylpiperazin-1-yl)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-(methylthio)-3-quinolin-1-iumyl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-methylsulfanylquinolin-1-ium-3-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium Traditional Name: [2-(4-acetylpiperazino)-7-(methylthio)quinolin-1-ium-3-yl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium Formula: C26H34N4O2S+2 MolecularWeight: 466.63876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)SC)C[NH2+]CCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)SC)C[NH2+]CCC4=CC(=CC=C4)OC

InChI

InChI=1S/C26H32N4O2S/c1-19(31)29-11-13-30(14-12-29)26-22(16-21-7-8-24(33-3)17-25(21)28-26)18-27-10-9-20-5-4-6-23(15-20)32-2/h4-8,15-17,27H,9-14,18H2,1-3H3/p+2