(3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]azanium

Systemtic Name: (3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[(1S,2S,3S)-2,3-dimethylcyclohexyl]azanium Openeye Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]ammonium CAS Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]azanium Traditional Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-(4-hydroxy-3,5-dimethoxy-benzyl)ammonium Formula: C17H28NO3+ MolecularWeight: 294.40912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO3/c1-11-6-5-7-14(12(11)2)18-10-13-8-15(20-3)17(19)16(9-13)21-4/h8-9,11-12,14,18-19H,5-7,10H2,1-4H3/p+1/t11-,12-,14-/m0/s1