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

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(2-pyridin-3-ylethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[2-(3-pyridyl)ethyl]acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[2-(3-pyridinyl)ethyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(2-pyridin-3-ylethyl)acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-[2-(3-pyridyl)ethyl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)NCCC3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)NCCC3=CN=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-2-29-19-7-5-18(6-8-19)16-26-13-12-25-22(28)20(26)14-21(27)24-11-9-17-4-3-10-23-15-17/h3-8,10,15,20H,2,9,11-14,16H2,1H3,(H,24,27)(H,25,28)/p+1/t20-/m1/s1