[(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-vanillyl-ammonium Formula: C16H26NO2+ MolecularWeight: 264.38314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)[NH2+]CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@H]1C)[NH2+]CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C16H25NO2/c1-11-5-4-6-14(12(11)2)17-10-13-7-8-15(18)16(9-13)19-3/h7-9,11-12,14,17-18H,4-6,10H2,1-3H3/p+1/t11-,12-,14-/m0/s1