[4-[(4-methylphenyl)sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[4-(p-tolylsulfanylmethyl)phenyl]methanone CAS Name: [4-[[(4-methylphenyl)thio]methyl]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-[(4-methylphenyl)sulfanylmethyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[4-[(p-tolylthio)methyl]phenyl]methanone Formula: C20H25N2OS+ MolecularWeight: 341.4903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H24N2OS/c1-16-3-9-19(10-4-16)24-15-17-5-7-18(8-6-17)20(23)22-13-11-21(2)12-14-22/h3-10H,11-15H2,1-2H3/p+1