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

Systemtic Name: [(4S)-2,2-dimethyloxan-4-yl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: [(4S)-2,2-dimethyl-4-oxanyl]-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(4S)-2,2-dimethyloxan-4-yl]-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(4S)-2,2-dimethyltetrahydropyran-4-yl]-vanillyl-ammonium Formula: C15H24NO3+ MolecularWeight: 266.35596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO3/c1-15(2)9-12(6-7-19-15)16-10-11-4-5-13(17)14(8-11)18-3/h4-5,8,12,16-17H,6-7,9-10H2,1-3H3/p+1/t12-/m0/s1