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

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3-methyl-4-nitro-phenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3-methyl-4-nitro-phenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3-methyl-4-nitrophenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3-methyl-4-nitrophenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3-methyl-4-nitro-phenyl)methanone Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N2CCC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N2CCC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O3/c1-10-9-11(3-4-12(10)16(18)19)13(17)15-7-2-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3/p+1