1,4-diazepan-4-ium-1-yl-(3-fluoranyl-4-methyl-phenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3-fluoranyl-4-methyl-phenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3-fluoro-4-methyl-phenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3-fluoro-4-methylphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3-fluoro-4-methylphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3-fluoro-4-methyl-phenyl)methanone Formula: C13H18FN2O+ MolecularWeight: 237.293223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC[NH2+]CC2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[NH2+]CC2)F

InChI

InChI=1S/C13H17FN2O/c1-10-3-4-11(9-12(10)14)13(17)16-7-2-5-15-6-8-16/h3-4,9,15H,2,5-8H2,1H3/p+1