2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]-N-[2-(phenylthio)ethyl]acetamide Formula: C22H31N3OS+2 MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NCCSC3=CC=CC=C3

InChI

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