[(1R,2S)-2-(3-methoxyphenyl)-2-oxidanyl-cyclohexyl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [(1R,2S)-2-(3-methoxyphenyl)-2-oxidanyl-cyclohexyl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[(1R,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl]-methyl-ammonium CAS Name: [(1R,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(1R,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl]-methylazanium Traditional Name: benzyl-[[(1R,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl]-methyl-ammonium Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCCCC1(C2=CC(=CC=C2)OC)O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C[C@H]1CCCC[C@]1(C2=CC(=CC=C2)OC)O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29NO2/c1-23(16-18-9-4-3-5-10-18)17-20-11-6-7-14-22(20,24)19-12-8-13-21(15-19)25-2/h3-5,8-10,12-13,15,20,24H,6-7,11,14,16-17H2,1-2H3/p+1/t20-,22-/m1/s1