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

Systemtic Name: [4-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-phenylmethanone IUPAC Name: [4-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(2-nitrobenzyl)-1,4-diazepan-4-ium-1-yl]-phenyl-methanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c23-19(16-7-2-1-3-8-16)21-12-6-11-20(13-14-21)15-17-9-4-5-10-18(17)22(24)25/h1-5,7-10H,6,11-15H2/p+1