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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(2-furylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2-furanylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2-furfuryl)piperazin-4-ium-1-carboxamide Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N3O4/c21-17(18-13-3-4-15-16(10-13)24-12-23-15)20-7-5-19(6-8-20)11-14-2-1-9-22-14/h1-4,9-10H,5-8,11-12H2,(H,18,21)/p+1