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

Systemtic Name: 2-[[2-(dimethylazaniumyl)ethyl-methyl-azaniumyl]methyl]-4-nitro-phenolate Openeye Name: 2-[[2-(dimethylammonio)ethyl-methyl-ammonio]methyl]-4-nitro-phenolate CAS Name: 2-[[2-(dimethylammonio)ethyl-methylammonio]methyl]-4-nitrophenolate IUPAC Name: 2-[[2-(dimethylazaniumyl)ethyl-methylazaniumyl]methyl]-4-nitrophenolate Traditional Name: 2-[[2-(dimethylammonio)ethyl-methyl-ammonio]methyl]-4-nitro-phenolate Formula: C12H20N3O3+ MolecularWeight: 254.3055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O3/c1-13(2)6-7-14(3)9-10-8-11(15(17)18)4-5-12(10)16/h4-5,8,16H,6-7,9H2,1-3H3/p+1