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

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(4-methoxy-3-nitro-phenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(4-methoxy-3-nitrophenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(4-methoxy-3-nitro-phenyl)methanone Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-20-12-4-3-10(9-11(12)16(18)19)13(17)15-7-2-5-14-6-8-15/h3-4,9,14H,2,5-8H2,1H3/p+1