1-methyl-2-[(Z)-2-(4-methylpiperazin-1-yl)-2-methylsulfanyl-ethenyl]quinolin-1-ium

Systemtic Name: 1-methyl-2-[(Z)-2-(4-methylpiperazin-1-yl)-2-methylsulfanyl-ethenyl]quinolin-1-ium Openeye Name: 1-methyl-2-[(Z)-2-(4-methylpiperazin-1-yl)-2-methylsulfanyl-vinyl]quinolin-1-ium CAS Name: 1-methyl-2-[(Z)-2-(4-methyl-1-piperazinyl)-2-(methylthio)ethenyl]quinolin-1-ium IUPAC Name: 1-methyl-2-[(Z)-2-(4-methylpiperazin-1-yl)-2-methylsulfanylethenyl]quinolin-1-ium Traditional Name: 1-methyl-2-[(Z)-2-(4-methylpiperazino)-2-(methylthio)vinyl]quinolin-1-ium Formula: C18H24N3S+ MolecularWeight: 314.46826

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=CC2=[N+](C3=CC=CC=C3C=C2)C)SC

Isomeric SMILES

CN1CCN(CC1)/C(=C/C2=[N+](C3=CC=CC=C3C=C2)C)/SC

InChI

InChI=1S/C18H24N3S/c1-19-10-12-21(13-11-19)18(22-3)14-16-9-8-15-6-4-5-7-17(15)20(16)2/h4-9,14H,10-13H2,1-3H3/q+1