2-azaniumylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-(furan-2-ylmethyl)azanium

Systemtic Name: 2-azaniumylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-(furan-2-ylmethyl)azanium Openeye Name: 2-azaniumylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-(2-furylmethyl)ammonium CAS Name: 2-ammonioethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-(2-furanylmethyl)ammonium IUPAC Name: 2-azaniumylethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-(furan-2-ylmethyl)azanium Traditional Name: 2-ammonioethyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-(2-furfuryl)ammonium Formula: C16H22N2O3+2 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C[NH+](CC[NH3+])CC3=CC=CO3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C[NH+](CC[NH3+])CC3=CC=CO3

InChI

InChI=1S/C16H20N2O3/c17-5-6-18(12-14-2-1-7-19-14)11-13-3-4-15-16(10-13)21-9-8-20-15/h1-4,7,10H,5-6,8-9,11-12,17H2/p+2