2-(4-methylphenyl)sulfanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ethanamide Openeye Name: N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(p-tolylsulfanyl)acetamide CAS Name: 2-[(4-methylphenyl)thio]-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]acetamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide Traditional Name: N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(p-tolylthio)acetamide Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCCCN2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NCCCN2CC[NH+](CC2)C

InChI

InChI=1S/C17H27N3OS/c1-15-4-6-16(7-5-15)22-14-17(21)18-8-3-9-20-12-10-19(2)11-13-20/h4-7H,3,8-14H2,1-2H3,(H,18,21)/p+1