4-[[2-(dimethylazaniumyl)ethyl-methyl-azaniumyl]methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[[2-(dimethylazaniumyl)ethyl-methyl-azaniumyl]methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[[2-(dimethylammonio)ethyl-methyl-ammonio]methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[[2-(dimethylammonio)ethyl-methylammonio]methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[[2-(dimethylazaniumyl)ethyl-methylazaniumyl]methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[[2-(dimethylammonio)ethyl-methyl-ammonio]methyl]-2-methoxy-6-nitro-phenolate Formula: C13H22N3O4+ MolecularWeight: 284.33148

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+](C)CC1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC[NH+](C)CC1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H21N3O4/c1-14(2)5-6-15(3)9-10-7-11(16(18)19)13(17)12(8-10)20-4/h7-8,17H,5-6,9H2,1-4H3/p+1