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

Systemtic Name: N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]benzamide IUPAC Name: N-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-17-7-5-6-10-19(17)16-23-11-13-24(14-12-23)20(25)15-22-21(26)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,22,26)/p+1