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

Systemtic Name: (1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-2-(4-chlorophenyl)-1-cyclohexyl-1-p-phenetyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C27H37ClNO2+ MolecularWeight: 443.04118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2CCCCC2)(C(C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](C2CCCCC2)([C@H](C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C27H36ClNO2/c1-2-31-25-16-12-23(13-17-25)27(30,22-8-4-3-5-9-22)26(20-29-18-6-7-19-29)21-10-14-24(28)15-11-21/h10-17,22,26,30H,2-9,18-20H2,1H3/p+1/t26-,27-/m1/s1