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

Systemtic Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(2-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(4-pyrimidylmethyl)acetamide Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=NC=NC=C3

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=NC=NC=C3

InChI

InChI=1S/C21H27N5O3/c1-3-29-19-7-5-4-6-16(19)13-26-11-10-23-21(28)18(26)12-20(27)25(2)14-17-8-9-22-15-24-17/h4-9,15,18H,3,10-14H2,1-2H3,(H,23,28)/p+1/t18-/m1/s1