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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-3-oxidanylidene-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-3-oxo-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-3-oxo-1-(2-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-2-[(2R)-3-oxo-1-(pyridin-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(2-pyridylmethyl)piperazin-1-ium-2-yl]-N-m-anisyl-acetamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=N3

InChI

InChI=1S/C20H24N4O3/c1-27-17-7-4-5-15(11-17)13-23-19(25)12-18-20(26)22-9-10-24(18)14-16-6-2-3-8-21-16/h2-8,11,18H,9-10,12-14H2,1H3,(H,22,26)(H,23,25)/p+1/t18-/m1/s1