(2-chloranyl-5-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (2-chloranyl-5-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (2-chloro-5-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (2-chloro-5-nitrophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (2-chloro-5-nitrophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (2-chloro-5-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C13H17ClN3O3+ MolecularWeight: 298.74538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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