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

Systemtic Name: (2,5-dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2,5-dimethyl-3-furyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2,5-dimethyl-3-furanyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2,5-dimethylfuran-3-yl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2,5-dimethyl-3-furyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2/c1-10-9-12(11(2)17-10)13(16)15-6-4-5-14(3)7-8-15/h9H,4-8H2,1-3H3/p+1