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

Systemtic Name: N-[(6-methylpyridin-2-yl)methyl]-2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-[(6-methyl-2-pyridyl)methyl]acetamide CAS Name: N-[(6-methyl-2-pyridinyl)methyl]-2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-[(6-methyl-2-pyridyl)methyl]acetamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3

InChI

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