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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-1-(1-pyrrolidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-1-pyrrolidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-5-phenyl-1-pyrrolidin-1-ium-1-yl-pentan-3-ol Formula: C28H33ClNO2+ MolecularWeight: 451.02012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CCC2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@](CCC2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C28H32ClNO2/c1-32-26-15-11-24(12-16-26)28(31,18-17-22-7-3-2-4-8-22)27(21-30-19-5-6-20-30)23-9-13-25(29)14-10-23/h2-4,7-16,27,31H,5-6,17-21H2,1H3/p+1/t27-,28-/m1/s1