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

Systemtic Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyridin-3-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[2-(3-pyridyl)ethyl]acetamide CAS Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(3-pyridinyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyridin-3-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-o-veratryl-piperazin-1-ium-2-yl]-N-[2-(3-pyridyl)ethyl]acetamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)C2CC(=O)NCCC3=CN=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCC3=CN=CC=C3

InChI

InChI=1S/C22H28N4O4/c1-29-19-7-3-6-17(21(19)30-2)15-26-12-11-25-22(28)18(26)13-20(27)24-10-8-16-5-4-9-23-14-16/h3-7,9,14,18H,8,10-13,15H2,1-2H3,(H,24,27)(H,25,28)/p+1/t18-/m1/s1