1,4-diazepan-4-ium-1-yl-(5-methylfuran-2-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(5-methylfuran-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(5-methyl-2-furyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(5-methyl-2-furanyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(5-methylfuran-2-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(5-methyl-2-furyl)methanone Formula: C11H17N2O2+ MolecularWeight: 209.26488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)N2CCC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(O1)C(=O)N2CCC[NH2+]CC2

InChI

InChI=1S/C11H16N2O2/c1-9-3-4-10(15-9)11(14)13-7-2-5-12-6-8-13/h3-4,12H,2,5-8H2,1H3/p+1