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

Systemtic Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide CAS Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(4-pyridylmethyl)acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)NCC3=CC=NC=C3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C21H26N4O3/c1-2-28-19-6-4-3-5-17(19)15-25-12-11-23-21(27)18(25)13-20(26)24-14-16-7-9-22-10-8-16/h3-10,18H,2,11-15H2,1H3,(H,23,27)(H,24,26)/p+1/t18-/m1/s1