3-(4-methylphenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolylsulfanyl)propan-1-one CAS Name: 3-[(4-methylphenyl)thio]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(p-tolylthio)propan-1-one Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C15H22N2OS/c1-13-3-5-14(6-4-13)19-12-7-15(18)17-10-8-16(2)9-11-17/h3-6H,7-12H2,1-2H3/p+1