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

Systemtic Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)ethanamide Openeye Name: 2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)acetamide CAS Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(1-phenylcyclopropyl)acetamide IUPAC Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-(1-phenylcyclopropyl)acetamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NC3(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NC3(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c1-17-7-5-6-8-18(17)16-26-14-13-24-22(28)20(26)15-21(27)25-23(11-12-23)19-9-3-2-4-10-19/h2-10,20H,11-16H2,1H3,(H,24,28)(H,25,27)/p+1/t20-/m1/s1