3-[[4-[(4-fluorophenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinolin-2-one

Systemtic Name: 3-[[4-[(4-fluorophenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinolin-2-one Openeye Name: 3-[[4-[(4-fluorophenyl)methyl]-5-oxo-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinolin-2-one CAS Name: 3-[[4-[(4-fluorophenyl)methyl]-5-oxo-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinolin-2-one IUPAC Name: 3-[[4-[(4-fluorophenyl)methyl]-5-oxo-1,4-diazepan-1-ium-1-yl]methyl]-1H-quinolin-2-one Traditional Name: 3-[[4-(4-fluorobenzyl)-5-keto-1,4-diazepan-1-ium-1-yl]methyl]carbostyril Formula: C22H23FN3O2+ MolecularWeight: 380.435323

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=C(C=C2)F)CC3=CC4=CC=CC=C4NC3=O

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=C(C=C2)F)CC3=CC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H22FN3O2/c23-19-7-5-16(6-8-19)14-26-12-11-25(10-9-21(26)27)15-18-13-17-3-1-2-4-20(17)24-22(18)28/h1-8,13H,9-12,14-15H2,(H,24,28)/p+1