(2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-phenyl-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-5-phenyl-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-5-phenyl-3-p-phenetyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C29H35ClNO2+ MolecularWeight: 465.0467

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CCC2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CCC2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C29H34ClNO2/c1-2-33-27-16-12-25(13-17-27)29(32,19-18-23-8-4-3-5-9-23)28(22-31-20-6-7-21-31)24-10-14-26(30)15-11-24/h3-5,8-17,28,32H,2,6-7,18-22H2,1H3/p+1/t28-,29-/m1/s1