1-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-phenyl]ethanone Openeye Name: 1-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-phenyl]ethanone CAS Name: 1-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitrophenyl]ethanone IUPAC Name: 1-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitrophenyl]ethanone Traditional Name: 1-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-nitro-phenyl]ethanone Formula: C14H20N3O3+ MolecularWeight: 278.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCC[NH+](CC2)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCC[NH+](CC2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3/c1-11(18)12-4-5-13(14(10-12)17(19)20)16-7-3-6-15(2)8-9-16/h4-5,10H,3,6-9H2,1-2H3/p+1