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

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]-N-[3-(methylthio)phenyl]acetamide Formula: C21H29N3OS+2 MolecularWeight: 371.53946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H27N3OS/c1-17-5-3-6-18(13-17)15-23-9-11-24(12-10-23)16-21(25)22-19-7-4-8-20(14-19)26-2/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,22,25)/p+2