[6-[2,3-bis(fluoranyl)phenyl]-1-pyridin-4-yl-azepan-3-yl]-carboxy-oxidanylidene-azanium

Systemtic Name: [6-[2,3-bis(fluoranyl)phenyl]-1-pyridin-4-yl-azepan-3-yl]-carboxy-oxidanylidene-azanium Openeye Name: carboxy-[6-(2,3-difluorophenyl)-1-(4-pyridyl)azepan-3-yl]-oxo-ammonium CAS Name: carboxy-[6-(2,3-difluorophenyl)-1-pyridin-4-yl-3-azepanyl]-oxoammonium IUPAC Name: carboxy-[6-(2,3-difluorophenyl)-1-pyridin-4-ylazepan-3-yl]-oxoazanium Traditional Name: carboxy-[6-(2,3-difluorophenyl)-1-(4-pyridyl)azepan-3-yl]-keto-ammonium Formula: C18H18F2N3O3+ MolecularWeight: 362.350626

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(CC1C2=C(C(=CC=C2)F)F)C3=CC=NC=C3)[N+](=O)C(=O)O

Isomeric SMILES

C1CC(CN(CC1C2=C(C(=CC=C2)F)F)C3=CC=NC=C3)[N+](=O)C(=O)O

InChI

InChI=1S/C18H17F2N3O3/c19-16-3-1-2-15(17(16)20)12-4-5-14(23(26)18(24)25)11-22(10-12)13-6-8-21-9-7-13/h1-3,6-9,12,14H,4-5,10-11H2/p+1