2-(azepan-1-ium-1-yl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]acetamide Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H25N3O3S/c1-24-14-7-8-17(25-2)15(11-14)16-13-26-19(20-16)21-18(23)12-22-9-5-3-4-6-10-22/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,21,23)/p+1