2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-[3-(phenylthio)propyl]acetamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H29N3OS/c1-19-8-5-6-11-21(19)25-15-13-24(14-16-25)18-22(26)23-12-7-17-27-20-9-3-2-4-10-20/h2-6,8-11H,7,12-18H2,1H3,(H,23,26)/p+1