4-[(1S)-2-azaniumyl-1-[bis(2-methoxyethyl)amino]ethyl]-2-nitro-phenolate

Systemtic Name: 4-[(1S)-2-azaniumyl-1-[bis(2-methoxyethyl)amino]ethyl]-2-nitro-phenolate Openeye Name: 4-[(1S)-2-azaniumyl-1-[bis(2-methoxyethyl)amino]ethyl]-2-nitro-phenolate CAS Name: 4-[(1S)-2-ammonio-1-[bis(2-methoxyethyl)amino]ethyl]-2-nitrophenolate IUPAC Name: 4-[(1S)-2-azaniumyl-1-[bis(2-methoxyethyl)amino]ethyl]-2-nitrophenolate Traditional Name: 4-[(1S)-2-ammonio-1-[bis(2-methoxyethyl)amino]ethyl]-2-nitro-phenolate Formula: C14H23N3O5 MolecularWeight: 313.34952

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C(C[NH3+])C1=CC(=C(C=C1)[O-])[N+](=O)[O-]

Isomeric SMILES

COCCN(CCOC)[C@H](C[NH3+])C1=CC(=C(C=C1)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H23N3O5/c1-21-7-5-16(6-8-22-2)13(10-15)11-3-4-14(18)12(9-11)17(19)20/h3-4,9,13,18H,5-8,10,15H2,1-2H3/t13-/m1/s1