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

Systemtic Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-4-methoxy-phenyl)methyl]azanium Openeye Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-4-methoxy-phenyl)methyl]ammonium CAS Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-[(3-ethoxy-4-methoxyphenyl)methyl]azanium Traditional Name: [(1S,2S,3S)-2,3-dimethylcyclohexyl]-(3-ethoxy-4-methoxy-benzyl)ammonium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO2/c1-5-21-18-11-15(9-10-17(18)20-4)12-19-16-8-6-7-13(2)14(16)3/h9-11,13-14,16,19H,5-8,12H2,1-4H3/p+1/t13-,14-,16-/m0/s1