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

Systemtic Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(thiazol-2-ylmethyl)acetamide CAS Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(2-thiazolylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-(4-ethoxybenzyl)-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(thiazol-2-ylmethyl)acetamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=NC=CS3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=NC=CS3

InChI

InChI=1S/C20H26N4O3S/c1-3-27-16-6-4-15(5-7-16)13-24-10-8-22-20(26)17(24)12-19(25)23(2)14-18-21-9-11-28-18/h4-7,9,11,17H,3,8,10,12-14H2,1-2H3,(H,22,26)/p+1/t17-/m1/s1