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

Systemtic Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-4-hydroxy-phenyl)methyl]ammonium CAS Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-4-hydroxyphenyl)methyl]ammonium IUPAC Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-4-hydroxyphenyl)methyl]azanium Traditional Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-(3-ethoxy-4-hydroxy-benzyl)ammonium Formula: C17H28NO2+ MolecularWeight: 278.40972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C2CCCC(C2C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+][C@H]2CCC[C@@H]([C@@H]2C)C)O

InChI

InChI=1S/C17H27NO2/c1-4-20-17-10-14(8-9-16(17)19)11-18-15-7-5-6-12(2)13(15)3/h8-10,12-13,15,18-19H,4-7,11H2,1-3H3/p+1/t12-,13-,15-/m0/s1