1-(1,4-diazepan-4-ium-1-yl)-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(4-nitrophenyl)ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(4-nitrophenyl)ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(4-nitrophenyl)ethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(4-nitrophenyl)ethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(4-nitrophenyl)ethanone Formula: C13H18N3O3+ MolecularWeight: 264.30032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c17-13(15-8-1-6-14-7-9-15)10-11-2-4-12(5-3-11)16(18)19/h2-5,14H,1,6-10H2/p+1