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

Systemtic Name: N-[(2-methylphenyl)methyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(o-tolylmethyl)-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(2-methylphenyl)methyl]-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2-methylphenyl)methyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-(2-methylbenzyl)acetamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3

InChI

InChI=1S/C20H24N4O2/c1-15-6-2-3-7-16(15)13-23-19(25)12-18-20(26)22-10-11-24(18)14-17-8-4-5-9-21-17/h2-9,18H,10-14H2,1H3,(H,22,26)(H,23,25)/p+1/t18-/m1/s1