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

Systemtic Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyridin-3-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]-N-[2-(3-pyridyl)ethyl]acetamide CAS Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(3-pyridinyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyridin-3-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-[2-(3-pyridyl)ethyl]acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCC3=CN=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-16-5-2-3-7-18(16)15-25-12-11-24-21(27)19(25)13-20(26)23-10-8-17-6-4-9-22-14-17/h2-7,9,14,19H,8,10-13,15H2,1H3,(H,23,26)(H,24,27)/p+1/t19-/m1/s1