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

Systemtic Name: N-methyl-N-[(3-methylpyridin-4-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-4-pyridyl)methyl]acetamide CAS Name: N-methyl-N-[(3-methyl-4-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-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-[(3-methyl-4-pyridyl)methyl]acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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