2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(3-pyridylmethyl)acetamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-28-17-8-16(9-18(10-17)29-2)14-25-7-6-23-21(27)19(25)11-20(26)24-13-15-4-3-5-22-12-15/h3-5,8-10,12,19H,6-7,11,13-14H2,1-2H3,(H,23,27)(H,24,26)/p+1/t19-/m1/s1