2-(2,2-dimethyloxan-4-yl)ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium chloride

Systemtic Name: 2-(2,2-dimethyloxan-4-yl)ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium chloride Openeye Name: 2-(2,2-dimethyltetrahydropyran-4-yl)ethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium chloride CAS Name: 2-(2,2-dimethyl-4-oxanyl)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium chloride IUPAC Name: 2-(2,2-dimethyloxan-4-yl)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium chloride Traditional Name: 2-(2,2-dimethyltetrahydropyran-4-yl)ethyl-vanillyl-ammonium chloride Formula: C17H28ClNO3 MolecularWeight: 329.86212

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)CC[NH2+]CC2=CC(=C(C=C2)O)OC)C.[Cl-]

Isomeric SMILES

CC1(CC(CCO1)CC[NH2+]CC2=CC(=C(C=C2)O)OC)C.[Cl-]

InChI

InChI=1S/C17H27NO3.ClH/c1-17(2)11-13(7-9-21-17)6-8-18-12-14-4-5-15(19)16(10-14)20-3;/h4-5,10,13,18-19H,6-9,11-12H2,1-3H3;1H