2-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-6-nitro-phenolate Openeye Name: 2-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-6-nitro-phenolate CAS Name: 2-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-6-nitrophenolate Traditional Name: 2-methoxy-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-6-nitro-phenolate Formula: C14H22N3O4+ MolecularWeight: 296.34218

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC(=C(C(=C2)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O4/c1-15-4-3-5-16(7-6-15)10-11-8-12(17(19)20)14(18)13(9-11)21-2/h8-9,18H,3-7,10H2,1-2H3/p+1