(4-chloranyl-3-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (4-chloro-3-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (4-chloro-3-nitrophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (4-chloro-3-nitrophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-chloro-3-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H17ClN3O3+ MolecularWeight: 298.74538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O3/c1-15-5-2-6-16(8-7-15)13(18)10-3-4-11(14)12(9-10)17(19)20/h3-4,9H,2,5-8H2,1H3/p+1