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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]furan-2-carboxamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]furan-2-carboxamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-2-furancarboxamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]furan-2-carboxamide Traditional Name: N-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]-2-furamide Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)C4=CC=CO4

InChI

InChI=1S/C20H23N3O5/c24-19(5-6-21-20(25)17-2-1-11-26-17)23-9-7-22(8-10-23)13-15-3-4-16-18(12-15)28-14-27-16/h1-4,11-12H,5-10,13-14H2,(H,21,25)/p+1