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

Systemtic Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyridin-3-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[2-(3-pyridyl)ethyl]acetamide CAS Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(3-pyridinyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyridin-3-ylethyl)acetamide Traditional Name: 2-[(2R)-1-(2,4-dimethoxybenzyl)-3-keto-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(=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCC3=CN=CC=C3)OC

InChI

InChI=1S/C22H28N4O4/c1-29-18-6-5-17(20(12-18)30-2)15-26-11-10-25-22(28)19(26)13-21(27)24-9-7-16-4-3-8-23-14-16/h3-6,8,12,14,19H,7,9-11,13,15H2,1-2H3,(H,24,27)(H,25,28)/p+1/t19-/m1/s1