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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3/c17-13(15-8-3-6-14-7-9-15)10-11-4-1-2-5-12(11)16(18)19/h1-2,4-5,14H,3,6-10H2/p+1