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

Systemtic Name: (4-methoxy-3-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (4-methoxy-3-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (4-methoxy-3-nitrophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (4-methoxy-3-nitrophenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (4-methoxy-3-nitro-phenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-15-6-3-7-16(9-8-15)14(18)11-4-5-13(21-2)12(10-11)17(19)20/h4-5,10H,3,6-9H2,1-2H3/p+1