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

Systemtic Name: 1-(2-chloranyl-4-nitro-phenyl)-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-(2-chloro-4-nitro-phenyl)-4-methyl-1,4-diazepan-4-ium CAS Name: 1-(2-chloro-4-nitrophenyl)-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-(2-chloro-4-nitrophenyl)-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-(2-chloro-4-nitro-phenyl)-4-methyl-1,4-diazepan-4-ium Formula: C12H17ClN3O2+ MolecularWeight: 270.73528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O2/c1-14-5-2-6-15(8-7-14)12-4-3-10(16(17)18)9-11(12)13/h3-4,9H,2,5-8H2,1H3/p+1