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

Systemtic Name: 4-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-[butyl(methyl)ammonio]ethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-[butyl(methyl)azaniumyl]ethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-[butyl(methyl)ammonio]ethyl]-2-methoxy-6-nitro-phenolate Formula: C14H24N3O4+ MolecularWeight: 298.35806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O4/c1-4-5-6-16(2)12(9-15)10-7-11(17(19)20)14(18)13(8-10)21-3/h7-8,12,18H,4-6,9,15H2,1-3H3/p+1/t12-/m1/s1