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

Systemtic Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-1-phenyl-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-ethoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-3-(4-chlorophenyl)-1-phenyl-2-p-phenetyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C28H33ClNO2+ MolecularWeight: 451.02012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C28H32ClNO2/c1-2-32-26-16-12-24(13-17-26)28(31,20-22-8-4-3-5-9-22)27(21-30-18-6-7-19-30)23-10-14-25(29)15-11-23/h3-5,8-17,27,31H,2,6-7,18-21H2,1H3/p+1/t27-,28-/m1/s1