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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC=CC=N3)OC

InChI

InChI=1S/C21H26N4O4/c1-28-18-7-6-15(11-19(18)29-2)14-25-10-9-23-21(27)17(25)12-20(26)24-13-16-5-3-4-8-22-16/h3-8,11,17H,9-10,12-14H2,1-2H3,(H,23,27)(H,24,26)/p+1/t17-/m1/s1