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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)-N-veratryl-acetamide Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O3S/c1-24-15-4-3-14(11-16(15)25-2)12-20-17(23)13-21-6-8-22(9-7-21)18-19-5-10-26-18/h3-5,10-11H,6-9,12-13H2,1-2H3,(H,20,23)/p+1