[2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[2-(p-tolylsulfanyl)phenyl]methanone CAS Name: [2-[(4-methylphenyl)thio]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[2-(p-tolylthio)phenyl]methanone Formula: C19H23N2OS+ MolecularWeight: 327.46372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H22N2OS/c1-15-7-9-16(10-8-15)23-18-6-4-3-5-17(18)19(22)21-13-11-20(2)12-14-21/h3-10H,11-14H2,1-2H3/p+1