4-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-(diethylammonio)ethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-(diethylazaniumyl)ethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-(diethylammonio)ethyl]-2-methoxy-6-nitro-phenolate Formula: C13H22N3O4+ MolecularWeight: 284.33148

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C[NH3+])C1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@H](C[NH3+])C1=CC(=C(C(=C1)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H21N3O4/c1-4-15(5-2)11(8-14)9-6-10(16(18)19)13(17)12(7-9)20-3/h6-7,11,17H,4-5,8,14H2,1-3H3/p+1/t11-/m1/s1