1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium

Systemtic Name: 1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium Openeye Name: 1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium CAS Name: 1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium IUPAC Name: 1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium Traditional Name: 1,1-dimethyl-4-(4-nitrophenyl)-1,4-diazepan-1-ium Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N3O2/c1-16(2)10-3-8-14(9-11-16)12-4-6-13(7-5-12)15(17)18/h4-7H,3,8-11H2,1-2H3/q+1