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

Systemtic Name: N-(2-methylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(o-tolyl)-2-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylphenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C

InChI

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