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

Systemtic Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyridin-2-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[2-(2-pyridyl)ethyl]acetamide CAS Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(2-pyridinyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyridin-2-ylethyl)acetamide Traditional Name: 2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[2-(2-pyridyl)ethyl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCCC3=CC=CC=N3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C22H28N4O3/c1-2-29-20-9-4-3-7-17(20)16-26-14-13-25-22(28)19(26)15-21(27)24-12-10-18-8-5-6-11-23-18/h3-9,11,19H,2,10,12-16H2,1H3,(H,24,27)(H,25,28)/p+1/t19-/m1/s1