N-[2-oxidanylidene-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-oxo-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-oxo-2-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]ethyl]-piperonylamide Formula: C24H25N4O4S+ MolecularWeight: 465.5447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)CNC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CC=CC=C3)C(=O)CNC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H24N4O4S/c29-22(13-25-23(30)18-6-7-20-21(12-18)32-16-31-20)28-10-8-27(9-11-28)14-19-15-33-24(26-19)17-4-2-1-3-5-17/h1-7,12,15H,8-11,13-14,16H2,(H,25,30)/p+1