1-(2-chloranyl-4-nitro-phenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-(2-chloro-4-nitro-phenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-(2-chloro-4-nitrophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(2-chloro-4-nitrophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(2-chloro-4-nitro-phenyl)-4-(4-fluorobenzyl)-1,4-diazepan-4-ium Formula: C18H20ClFN3O2+ MolecularWeight: 364.821703

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C[NH+](CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H19ClFN3O2/c19-17-12-16(23(24)25)6-7-18(17)22-9-1-8-21(10-11-22)13-14-2-4-15(20)5-3-14/h2-7,12H,1,8-11,13H2/p+1