1-(furan-2-ylmethyl)-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-(furan-2-ylmethyl)-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-(2-furylmethyl)-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-(2-furanylmethyl)-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-(furan-2-ylmethyl)-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(2-furfuryl)-4-methyl-1,4-diazepane-1,4-diium Formula: C11H20N2O+2 MolecularWeight: 196.2893

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC=CO2

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC=CO2

InChI

InChI=1S/C11H18N2O/c1-12-5-3-6-13(8-7-12)10-11-4-2-9-14-11/h2,4,9H,3,5-8,10H2,1H3/p+2