4-[(1S)-2-azaniumyl-1-(dibutylazaniumyl)ethyl]-2-nitro-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-(dibutylazaniumyl)ethyl]-2-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-(dibutylammonio)ethyl]-2-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-(dibutylammonio)ethyl]-2-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-(dibutylazaniumyl)ethyl]-2-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-(dibutylammonio)ethyl]-2-nitro-phenolate Formula: C16H28N3O3+ MolecularWeight: 310.41182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O3/c1-3-5-9-18(10-6-4-2)15(12-17)13-7-8-16(20)14(11-13)19(21)22/h7-8,11,15,20H,3-6,9-10,12,17H2,1-2H3/p+1/t15-/m1/s1