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

Systemtic Name: N-(2,5-dimethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,5-dimethoxyphenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,5-dimethoxyphenyl)-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,5-dimethoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,5-dimethoxyphenyl)-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C17H23N4O3S+ MolecularWeight: 363.45452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C17H22N4O3S/c1-23-13-3-4-15(24-2)14(11-13)19-16(22)12-20-6-8-21(9-7-20)17-18-5-10-25-17/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,22)/p+1