[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: [4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: [4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C18H20FN3O2 MolecularWeight: 329.368703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C[N+](=CC=C2)[O-])CC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C[N+](=CC=C2)[O-])CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O2/c19-17-6-4-15(5-7-17)13-20-8-2-9-21(12-11-20)18(23)16-3-1-10-22(24)14-16/h1,3-7,10,14H,2,8-9,11-13H2