3-[(10-ethylphenazin-10-ium-2-yl)amino]propanoic acid; hydrogen sulfate

Systemtic Name: 3-[(10-ethylphenazin-10-ium-2-yl)amino]propanoic acid; hydrogen sulfate Openeye Name: 3-[(10-ethylphenazin-10-ium-2-yl)amino]propanoic acid; hydrogen sulfate CAS Name: 3-[(10-ethyl-2-phenazin-10-iumyl)amino]propanoic acid; hydrogen sulfate IUPAC Name: 3-[(10-ethylphenazin-10-ium-2-yl)amino]propanoic acid; hydrogen sulfate Traditional Name: 3-[(10-ethylphenazin-10-ium-2-yl)amino]propionic acid bisulfate Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C=CC2=NC3=CC=CC=C31)NCCC(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C2C=C(C=CC2=NC3=CC=CC=C31)NCCC(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C17H17N3O2.H2O4S/c1-2-20-15-6-4-3-5-13(15)19-14-8-7-12(11-16(14)20)18-10-9-17(21)22;1-5(2,3)4/h3-8,11H,2,9-10H2,1H3,(H,21,22);(H2,1,2,3,4)