2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(1,2-oxazol-5-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(1,2-oxazol-5-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(isoxazol-5-ylmethyl)-N-methyl-acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(5-isoxazolylmethyl)-N-methylacetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(1,2-oxazol-5-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-(isoxazol-5-ylmethyl)-N-methyl-acetamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

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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=NO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=CC=NO3

InChI

InChI=1S/C20H26N4O4/c1-3-27-16-6-4-15(5-7-16)13-24-11-10-21-20(26)18(24)12-19(25)23(2)14-17-8-9-22-28-17/h4-9,18H,3,10-14H2,1-2H3,(H,21,26)/p+1/t18-/m1/s1