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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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