1,4-diazepan-4-ium-1-yl-(2,5-dimethylfuran-3-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(2,5-dimethylfuran-3-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(2,5-dimethyl-3-furyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(2,5-dimethyl-3-furanyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(2,5-dimethylfuran-3-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(2,5-dimethyl-3-furyl)methanone Formula: C12H19N2O2+ MolecularWeight: 223.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O2/c1-9-8-11(10(2)16-9)12(15)14-6-3-4-13-5-7-14/h8,13H,3-7H2,1-2H3/p+1