N-[(2,5-dimethoxyphenyl)methyl]-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-(2,5-dimethoxybenzyl)-2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]acetamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CS3

InChI

InChI=1S/C20H25N3O4S/c1-26-15-5-6-18(27-2)14(10-15)12-22-19(24)11-17-20(25)21-7-8-23(17)13-16-4-3-9-28-16/h3-6,9-10,17H,7-8,11-13H2,1-2H3,(H,21,25)(H,22,24)/p+1/t17-/m1/s1