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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]ethanamide Openeye Name: N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]-2-(p-tolylmethylsulfanyl)acetamide CAS Name: 2-[(4-methylphenyl)methylthio]-N-[3-(4-methyl-1-piperazin-4-iumyl)propyl]acetamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide Traditional Name: 2-[(4-methylbenzyl)thio]-N-[3-(4-methylpiperazin-4-ium-1-yl)propyl]acetamide Formula: C18H30N3OS+ MolecularWeight: 336.5153

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3OS/c1-16-4-6-17(7-5-16)14-23-15-18(22)19-8-3-9-21-12-10-20(2)11-13-21/h4-7H,3,8-15H2,1-2H3,(H,19,22)/p+1