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

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyridylmethyl)acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyridylmethyl)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)N(C)CC3=CC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=CC=CC=N3

InChI

InChI=1S/C22H28N4O3/c1-3-29-19-9-7-17(8-10-19)15-26-13-12-24-22(28)20(26)14-21(27)25(2)16-18-6-4-5-11-23-18/h4-11,20H,3,12-16H2,1-2H3,(H,24,28)/p+1/t20-/m1/s1