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

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-ethyl-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-ethyl-N-(4-pyridylmethyl)acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-ethyl-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-ethyl-N-(4-pyridylmethyl)acetamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=NC=C1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN(CC1=CC=NC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=C(C=C3)OCC

InChI

InChI=1S/C23H30N4O3/c1-3-26(16-19-9-11-24-12-10-19)22(28)15-21-23(29)25-13-14-27(21)17-18-5-7-20(8-6-18)30-4-2/h5-12,21H,3-4,13-17H2,1-2H3,(H,25,29)/p+1/t21-/m1/s1