N-[(3-methylpyridin-4-yl)methyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(3-methylpyridin-4-yl)methyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxidanylidene-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-methyl-4-pyridyl)methyl]-2-[(2R)-1-(2-naphthylmethyl)-3-oxo-piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-methyl-4-pyridinyl)methyl]-2-[(2R)-1-(2-naphthalenylmethyl)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-methylpyridin-4-yl)methyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-naphthylmethyl)piperazin-1-ium-2-yl]-N-[(3-methyl-4-pyridyl)methyl]acetamide Formula: C24H27N4O2+ MolecularWeight: 403.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C=CN=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26N4O2/c1-17-14-25-9-8-21(17)15-27-23(29)13-22-24(30)26-10-11-28(22)16-18-6-7-19-4-2-3-5-20(19)12-18/h2-9,12,14,22H,10-11,13,15-16H2,1H3,(H,26,30)(H,27,29)/p+1/t22-/m1/s1