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

Systemtic Name: N-[(3-methylphenyl)methyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(m-tolylmethyl)-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-methylphenyl)methyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-methylphenyl)methyl]-2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-(3-methylbenzyl)acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3C

InChI

InChI=1S/C22H27N3O2/c1-16-6-5-8-18(12-16)14-24-21(26)13-20-22(27)23-10-11-25(20)15-19-9-4-3-7-17(19)2/h3-9,12,20H,10-11,13-15H2,1-2H3,(H,23,27)(H,24,26)/p+1/t20-/m1/s1