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

Systemtic Name: (2S)-2-(4-methylphenyl)sulfanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide Openeye Name: (2S)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(p-tolylsulfanyl)propanamide CAS Name: (2S)-2-[(4-methylphenyl)thio]-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]propanamide IUPAC Name: (2S)-2-(4-methylphenyl)sulfanyl-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]propanamide Traditional Name: (2S)-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(p-tolylthio)propionamide Formula: C18H30N3OS+ MolecularWeight: 336.5153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C(=O)NCCCN2CC[NH+](CC2)C

InChI

InChI=1S/C18H29N3OS/c1-15-5-7-17(8-6-15)23-16(2)18(22)19-9-4-10-21-13-11-20(3)12-14-21/h5-8,16H,4,9-14H2,1-3H3,(H,19,22)/p+1/t16-/m0/s1