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

Systemtic Name: N-methyl-N-[(3-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-methyl-N-[(3-methyl-2-pyridyl)methyl]acetamide CAS Name: N-methyl-N-[(3-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-methyl-N-[(3-methylpyridin-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-2-pyridyl)methyl]acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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