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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-phenyl-2-thiazolyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-phenylthiazol-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H23N4O3S+ MolecularWeight: 423.50802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3S/c27-21(23-17-6-7-19-20(12-17)29-15-28-19)13-25-8-10-26(11-9-25)22-24-18(14-30-22)16-4-2-1-3-5-16/h1-7,12,14H,8-11,13,15H2,(H,23,27)/p+1