(4-fluorophenyl)-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone CAS Name: (4-fluorophenyl)-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-fluorophenyl)-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium-1-yl]methanone Traditional Name: (4-fluorophenyl)-[4-(2-nitrobenzyl)-1,4-diazepan-4-ium-1-yl]methanone Formula: C19H21FN3O3+ MolecularWeight: 358.386743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O3/c20-17-8-6-15(7-9-17)19(24)22-11-3-10-21(12-13-22)14-16-4-1-2-5-18(16)23(25)26/h1-2,4-9H,3,10-14H2/p+1