[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-propyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-propyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-propyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-propyl]-(2-furfuryl)-methyl-ammonium Formula: C17H21N2O4+ MolecularWeight: 317.35964

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC2=C(C=C1)OCCO2)CC3=CC=CO3

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC2=C(C=C1)OCCO2)CC3=CC=CO3

InChI

InChI=1S/C17H20N2O4/c1-19(12-14-3-2-8-21-14)7-6-17(20)18-13-4-5-15-16(11-13)23-10-9-22-15/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,18,20)/p+1