1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium CAS Name: 1-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Formula: C23H33N3S+2 MolecularWeight: 383.59322

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H31N3S/c1-27-23-9-7-20(8-10-23)19-24-13-11-22(12-14-24)26-17-15-25(16-18-26)21-5-3-2-4-6-21/h2-10,22H,11-19H2,1H3/p+2