N-(1,3-benzodioxol-5-ylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxamide Traditional Name: N-piperonyl-5-(pyrrolidin-1-ium-1-ylmethyl)-2-furamide Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(O2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H20N2O4/c21-18(16-6-4-14(24-16)11-20-7-1-2-8-20)19-10-13-3-5-15-17(9-13)23-12-22-15/h3-6,9H,1-2,7-8,10-12H2,(H,19,21)/p+1