N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-5-bromo-furan-2-carboxamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-5-bromofuran-2-carboxamide Traditional Name: 5-bromo-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-2-furamide Formula: C19H21BrN3O5+ MolecularWeight: 451.29114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=CC=C(O4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C19H20BrN3O5/c20-17-4-3-15(28-17)19(25)21-10-18(24)23-7-5-22(6-8-23)11-13-1-2-14-16(9-13)27-12-26-14/h1-4,9H,5-8,10-12H2,(H,21,25)/p+1