[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)azanium chloride

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)azanium chloride Openeye Name: [2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]-tetralin-2-yl-ammonium chloride CAS Name: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)ammonium chloride IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-(1,2,3,4-tetrahydronaphthalen-2-yl)azanium chloride Traditional Name: [2-(3,4-dihydroxyphenyl)-2-keto-ethyl]-tetralin-2-yl-ammonium chloride Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2CC1[NH2+]CC(=O)C3=CC(=C(C=C3)O)O.[Cl-]

Isomeric SMILES

C1CC2=CC=CC=C2CC1[NH2+]CC(=O)C3=CC(=C(C=C3)O)O.[Cl-]

InChI

InChI=1S/C18H19NO3.ClH/c20-16-8-6-14(10-17(16)21)18(22)11-19-15-7-5-12-3-1-2-4-13(12)9-15;/h1-4,6,8,10,15,19-21H,5,7,9,11H2;1H