4-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]-2-nitro-phenolate

Systemtic Name: 4-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]-2-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]-2-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-(1-azepan-1-iumyl)ethyl]-2-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-(azepan-1-ium-1-yl)ethyl]-2-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-(azepan-1-ium-1-yl)ethyl]-2-nitro-phenolate Formula: C14H22N3O3+ MolecularWeight: 280.34278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21N3O3/c15-10-13(16-7-3-1-2-4-8-16)11-5-6-14(18)12(9-11)17(19)20/h5-6,9,13,18H,1-4,7-8,10,15H2/p+1/t13-/m0/s1