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

Systemtic Name: 4-[(1S)-2-azaniumyl-1-[butyl(ethyl)azaniumyl]ethyl]-2-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-[butyl(ethyl)ammonio]ethyl]-2-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-[butyl(ethyl)ammonio]ethyl]-2-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-[butyl(ethyl)azaniumyl]ethyl]-2-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-[butyl(ethyl)ammonio]ethyl]-2-nitro-phenolate Formula: C14H24N3O3+ MolecularWeight: 282.35866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O3/c1-3-5-8-16(4-2)13(10-15)11-6-7-14(18)12(9-11)17(19)20/h6-7,9,13,18H,3-5,8,10,15H2,1-2H3/p+1/t13-/m1/s1