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

Systemtic Name: N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-naphthalen-1-yl-ethanamide Openeye Name: 2-(1-naphthyl)-N-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]acetamide CAS Name: N-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide Traditional Name: N-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-2-(1-naphthyl)acetamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H29N3O2/c1-20-7-2-3-9-23(20)19-28-13-15-29(16-14-28)26(31)18-27-25(30)17-22-11-6-10-21-8-4-5-12-24(21)22/h2-12H,13-19H2,1H3,(H,27,30)/p+1