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

Systemtic Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)ethanamide Openeye Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[3-(3-pyridyl)propyl]acetamide CAS Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[3-(3-pyridinyl)propyl]acetamide IUPAC Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide Traditional Name: 2-[(2R)-1-(3,5-dimethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[3-(3-pyridyl)propyl]acetamide Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCCC3=CN=CC=C3)OC

InChI

InChI=1S/C23H30N4O4/c1-30-19-11-18(12-20(13-19)31-2)16-27-10-9-26-23(29)21(27)14-22(28)25-8-4-6-17-5-3-7-24-15-17/h3,5,7,11-13,15,21H,4,6,8-10,14,16H2,1-2H3,(H,25,28)(H,26,29)/p+1/t21-/m1/s1