4-(2-methylphenyl)sulfanyl-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: 4-(2-methylphenyl)sulfanyl-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: 4-(o-tolylsulfanyl)-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: 4-[(2-methylphenyl)thio]-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: 4-(2-methylphenyl)sulfanyl-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: 4-(o-tolylthio)-1-piperazin-4-ium-1-yl-butan-1-one Formula: C15H23N2OS+ MolecularWeight: 279.42092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCCCC(=O)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=CC=C1SCCCC(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C15H22N2OS/c1-13-5-2-3-6-14(13)19-12-4-7-15(18)17-10-8-16-9-11-17/h2-3,5-6,16H,4,7-12H2,1H3/p+1