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

Systemtic Name: [(1S,2S)-2-(3-methoxyphenyl)-2-oxidanyl-cyclohexyl]methyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[[(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl]ammonium CAS Name: [(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[[(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl]azanium Traditional Name: dibenzyl-[[(1S,2S)-2-hydroxy-2-(3-methoxyphenyl)cyclohexyl]methyl]ammonium Formula: C28H34NO2+ MolecularWeight: 416.57506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCCCC2C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1)[C@@]2(CCCC[C@H]2C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C28H33NO2/c1-31-27-17-10-16-25(19-27)28(30)18-9-8-15-26(28)22-29(20-23-11-4-2-5-12-23)21-24-13-6-3-7-14-24/h2-7,10-14,16-17,19,26,30H,8-9,15,18,20-22H2,1H3/p+1/t26-,28+/m0/s1