(1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-(4-methoxyphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-(4-methoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C26H35ClNO2+ MolecularWeight: 429.0146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C26H34ClNO2/c1-30-24-15-11-22(12-16-24)26(29,21-7-3-2-4-8-21)25(19-28-17-5-6-18-28)20-9-13-23(27)14-10-20/h9-16,21,25,29H,2-8,17-19H2,1H3/p+1/t25-,26-/m1/s1