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

Systemtic Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-phenyl-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C27H31ClNO2+ MolecularWeight: 436.99354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C27H30ClNO2/c1-31-25-15-11-23(12-16-25)27(30,19-21-7-3-2-4-8-21)26(20-29-17-5-6-18-29)22-9-13-24(28)14-10-22/h2-4,7-16,26,30H,5-6,17-20H2,1H3/p+1/t26-,27-/m1/s1