N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-naphthalen-1-yl-ethanamide

Systemtic Name: N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-naphthalen-1-yl-ethanamide Openeye Name: N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-(1-naphthyl)acetamide CAS Name: N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide Traditional Name: N-[2-keto-2-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC4=CC=CC=C43

InChI

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