N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-thiazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)-4-phenyl-5-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)-4-phenyl-thiazole-5-carboxamide Formula: C22H23N4O3S+ MolecularWeight: 423.50802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=C(S2)C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3S/c1-25-9-11-26(12-10-25)22-24-19(15-5-3-2-4-6-15)20(30-22)21(27)23-16-7-8-17-18(13-16)29-14-28-17/h2-8,13H,9-12,14H2,1H3,(H,23,27)/p+1