3-(2-azanylethyl)-7-oxidanyl-1H-indole-4,5-dione hydrate hydrochloride

Systemtic Name: 3-(2-azanylethyl)-7-oxidanyl-1H-indole-4,5-dione hydrate hydrochloride Openeye Name: 3-(2-aminoethyl)-7-hydroxy-1H-indole-4,5-dione hydrate hydrochloride CAS Name: 3-(2-aminoethyl)-7-hydroxy-1H-indole-4,5-dione hydrate hydrochloride IUPAC Name: 3-(2-aminoethyl)-7-hydroxy-1H-indole-4,5-dione hydrate hydrochloride Traditional Name: 3-(2-aminoethyl)-7-hydroxy-1H-indole-4,5-quinone hydrate hydrochloride Formula: C10H13ClN2O4 MolecularWeight: 260.67422

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=C(C(=CN2)CCN)C(=O)C1=O)O.O.Cl

Isomeric SMILES

C1=C(C2=C(C(=CN2)CCN)C(=O)C1=O)O.O.Cl

InChI

InChI=1S/C10H10N2O3.ClH.H2O/c11-2-1-5-4-12-9-6(13)3-7(14)10(15)8(5)9;;/h3-4,12-13H,1-2,11H2;1H;1H2