[7-fluoranyl-2-(3-methoxyphenyl)quinolin-3-yl]methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium

Systemtic Name: [7-fluoranyl-2-(3-methoxyphenyl)quinolin-3-yl]methyl-[(3S)-2-oxidanylideneazepan-3-yl]azanium Openeye Name: [7-fluoro-2-(3-methoxyphenyl)-3-quinolyl]methyl-[(3S)-2-oxoazepan-3-yl]ammonium CAS Name: [7-fluoro-2-(3-methoxyphenyl)-3-quinolinyl]methyl-[(3S)-2-oxo-3-azepanyl]ammonium IUPAC Name: [7-fluoro-2-(3-methoxyphenyl)quinolin-3-yl]methyl-[(3S)-2-oxoazepan-3-yl]azanium Traditional Name: [7-fluoro-2-(3-methoxyphenyl)-3-quinolyl]methyl-[(3S)-2-ketoazepan-3-yl]ammonium Formula: C23H25FN3O2+ MolecularWeight: 394.461903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C=C3C=CC(=CC3=N2)F)C[NH2+]C4CCCCNC4=O

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C=C3C=CC(=CC3=N2)F)C[NH2+][C@H]4CCCCNC4=O

InChI

InChI=1S/C23H24FN3O2/c1-29-19-6-4-5-16(12-19)22-17(11-15-8-9-18(24)13-21(15)27-22)14-26-20-7-2-3-10-25-23(20)28/h4-6,8-9,11-13,20,26H,2-3,7,10,14H2,1H3,(H,25,28)/p+1/t20-/m0/s1