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

Systemtic Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(6-methyl-2-pyridyl)methyl]acetamide CAS Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-m-anisyl-piperazin-1-ium-2-yl]-N-[(6-methyl-2-pyridyl)methyl]acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-15-5-3-7-17(24-15)13-23-20(26)12-19-21(27)22-9-10-25(19)14-16-6-4-8-18(11-16)28-2/h3-8,11,19H,9-10,12-14H2,1-2H3,(H,22,27)(H,23,26)/p+1/t19-/m1/s1