2-(2-ethyl-2-methyl-4-oxidanyl-oxan-4-yl)ethyl-[(4-methoxyphenyl)methyl]azanium chloride

Systemtic Name: 2-(2-ethyl-2-methyl-4-oxidanyl-oxan-4-yl)ethyl-[(4-methoxyphenyl)methyl]azanium chloride Openeye Name: 2-(2-ethyl-4-hydroxy-2-methyl-tetrahydropyran-4-yl)ethyl-[(4-methoxyphenyl)methyl]ammonium chloride CAS Name: 2-(2-ethyl-4-hydroxy-2-methyl-4-oxanyl)ethyl-[(4-methoxyphenyl)methyl]ammonium chloride IUPAC Name: 2-(2-ethyl-4-hydroxy-2-methyloxan-4-yl)ethyl-[(4-methoxyphenyl)methyl]azanium chloride Traditional Name: 2-(2-ethyl-4-hydroxy-2-methyl-tetrahydropyran-4-yl)ethyl-p-anisyl-ammonium chloride Formula: C18H30ClNO3 MolecularWeight: 343.8887

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)(CC[NH2+]CC2=CC=C(C=C2)OC)O)C.[Cl-]

Isomeric SMILES

CCC1(CC(CCO1)(CC[NH2+]CC2=CC=C(C=C2)OC)O)C.[Cl-]

InChI

InChI=1S/C18H29NO3.ClH/c1-4-17(2)14-18(20,10-12-22-17)9-11-19-13-15-5-7-16(21-3)8-6-15;/h5-8,19-20H,4,9-14H2,1-3H3;1H