2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]ethanamide Openeye Name: N-[(6-methyl-2-pyridyl)methyl]-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-methylbenzyl)piperazin-1-ium-2-yl]-N-[(6-methyl-2-pyridyl)methyl]acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-15-6-3-4-8-17(15)14-25-11-10-22-21(27)19(25)12-20(26)23-13-18-9-5-7-16(2)24-18/h3-9,19H,10-14H2,1-2H3,(H,22,27)(H,23,26)/p+1/t19-/m1/s1