hydrogen sulfate; (E)-2-(5-oxidanyl-1H-indol-3-yl)ethyl-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)azanium

Systemtic Name: hydrogen sulfate; (E)-2-(5-oxidanyl-1H-indol-3-yl)ethyl-(1-oxidanyl-1-oxidanylidene-propan-2-ylidene)azanium Openeye Name: hydrogen sulfate; (E)-2-(5-hydroxy-1H-indol-3-yl)ethyl-(2-hydroxy-1-methyl-2-oxo-ethylidene)ammonium CAS Name: hydrogen sulfate; (E)-2-(5-hydroxy-1H-indol-3-yl)ethyl-(1-hydroxy-1-oxopropan-2-ylidene)ammonium IUPAC Name: hydrogen sulfate; (E)-2-(5-hydroxy-1H-indol-3-yl)ethyl-(1-hydroxy-1-oxopropan-2-ylidene)azanium Traditional Name: (E)-2-(5-hydroxy-1H-indol-3-yl)ethyl-(2-hydroxy-2-keto-1-methyl-ethylidene)ammonium bisulfate Formula: C13H16N2O7S MolecularWeight: 344.34034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]CCC1=CNC2=C1C=C(C=C2)O)C(=O)O.OS(=O)(=O)[O-]

Isomeric SMILES

C/C(=[NH+]\CCC1=CNC2=C1C=C(C=C2)O)/C(=O)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C13H14N2O3.H2O4S/c1-8(13(17)18)14-5-4-9-7-15-12-3-2-10(16)6-11(9)12;1-5(2,3)4/h2-3,6-7,15-16H,4-5H2,1H3,(H,17,18);(H2,1,2,3,4)/b14-8+;