1-methyl-4-(2-nitrophenyl)-1,4-diazepan-1-ium

Systemtic Name: 1-methyl-4-(2-nitrophenyl)-1,4-diazepan-1-ium Openeye Name: 1-methyl-4-(2-nitrophenyl)-1,4-diazepan-1-ium CAS Name: 1-methyl-4-(2-nitrophenyl)-1,4-diazepan-1-ium IUPAC Name: 1-methyl-4-(2-nitrophenyl)-1,4-diazepan-1-ium Traditional Name: 1-methyl-4-(2-nitrophenyl)-1,4-diazepan-1-ium Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O2/c1-13-7-4-8-14(10-9-13)11-5-2-3-6-12(11)15(16)17/h2-3,5-6H,4,7-10H2,1H3/p+1