[(1S)-2-(2-cyclohexylethanoylamino)-1-(3,4-dimethoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-(2-cyclohexylethanoylamino)-1-(3,4-dimethoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-cyclohexylacetyl)amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[(2-cyclohexyl-1-oxoethyl)amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-cyclohexylacetyl)amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-cyclohexylacetyl)amino]-1-(3,4-dimethoxyphenyl)ethyl]-dimethyl-ammonium Formula: C20H33N2O3+ MolecularWeight: 349.48762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CC1CCCCC1)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CC1CCCCC1)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H32N2O3/c1-22(2)17(16-10-11-18(24-3)19(13-16)25-4)14-21-20(23)12-15-8-6-5-7-9-15/h10-11,13,15,17H,5-9,12,14H2,1-4H3,(H,21,23)/p+1/t17-/m1/s1