[2-(4-ethanoylpiperazin-1-yl)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl-[(1R)-1-naphthalen-1-ylethyl]azanium

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl-[(1R)-1-naphthalen-1-ylethyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-methylsulfanyl-quinolin-1-ium-3-yl]methyl-[(1R)-1-(1-naphthyl)ethyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-(methylthio)-3-quinolin-1-iumyl]methyl-[(1R)-1-(1-naphthalenyl)ethyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-methylsulfanylquinolin-1-ium-3-yl]methyl-[(1R)-1-naphthalen-1-ylethyl]azanium Traditional Name: [2-(4-acetylpiperazino)-7-(methylthio)quinolin-1-ium-3-yl]methyl-[(1R)-1-(1-naphthyl)ethyl]ammonium Formula: C29H34N4OS+2 MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)[NH2+]CC3=C([NH+]=C4C=C(C=CC4=C3)SC)N5CCN(CC5)C(=O)C

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)[NH2+]CC3=C([NH+]=C4C=C(C=CC4=C3)SC)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C29H32N4OS/c1-20(26-10-6-8-22-7-4-5-9-27(22)26)30-19-24-17-23-11-12-25(35-3)18-28(23)31-29(24)33-15-13-32(14-16-33)21(2)34/h4-12,17-18,20,30H,13-16,19H2,1-3H3/p+2/t20-/m1/s1