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

Systemtic Name: N-(3-methylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(m-tolyl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3-methylphenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3-methylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: 2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]-N-(m-tolyl)acetamide Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C

InChI

InChI=1S/C21H27N3O/c1-17-6-5-9-20(14-17)22-21(25)16-24-12-10-23(11-13-24)15-19-8-4-3-7-18(19)2/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+2