(3,4-dimethoxyphenyl)methyl-[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]azanium chloride

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[2-(3-hydroxyphenyl)-2-oxidanyl-ethyl]azanium chloride Openeye Name: (3,4-dimethoxyphenyl)methyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]ammonium chloride CAS Name: (3,4-dimethoxyphenyl)methyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]ammonium chloride IUPAC Name: (3,4-dimethoxyphenyl)methyl-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium chloride Traditional Name: [2-hydroxy-2-(3-hydroxyphenyl)ethyl]-veratryl-ammonium chloride Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CC(C2=CC(=CC=C2)O)O)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CC(C2=CC(=CC=C2)O)O)OC.[Cl-]

InChI

InChI=1S/C17H21NO4.ClH/c1-21-16-7-6-12(8-17(16)22-2)10-18-11-15(20)13-4-3-5-14(19)9-13;/h3-9,15,18-20H,10-11H2,1-2H3;1H