[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: 2-furfuryl-[2-keto-2-(piperonylamino)ethyl]-methyl-ammonium Formula: C16H19N2O4+ MolecularWeight: 303.33306

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H18N2O4/c1-18(9-13-3-2-6-20-13)10-16(19)17-8-12-4-5-14-15(7-12)22-11-21-14/h2-7H,8-11H2,1H3,(H,17,19)/p+1