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

Systemtic Name: 2-(2,2-dimethyl-4-oxidanyl-oxan-4-yl)ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-(4-hydroxy-2,2-dimethyl-tetrahydropyran-4-yl)ethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-(4-hydroxy-2,2-dimethyl-4-oxanyl)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 2-(4-hydroxy-2,2-dimethyloxan-4-yl)ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: 2-(4-hydroxy-2,2-dimethyl-tetrahydropyran-4-yl)ethyl-vanillyl-ammonium Formula: C17H28NO4+ MolecularWeight: 310.40852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4/c1-16(2)12-17(20,7-9-22-16)6-8-18-11-13-4-5-14(19)15(10-13)21-3/h4-5,10,18-20H,6-9,11-12H2,1-3H3/p+1