2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide CAS Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2,4-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC=NC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC=NC=C3)OC

InChI

InChI=1S/C21H26N4O4/c1-28-17-4-3-16(19(11-17)29-2)14-25-10-9-23-21(27)18(25)12-20(26)24-13-15-5-7-22-8-6-15/h3-8,11,18H,9-10,12-14H2,1-2H3,(H,23,27)(H,24,26)/p+1/t18-/m1/s1