(2R,3S)-3-(4-chloranyl-2-methyl-phenoxy)-2-(4-methylphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol

Systemtic Name: (2R,3S)-3-(4-chloranyl-2-methyl-phenoxy)-2-(4-methylphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2R,3S)-3-(4-chloro-2-methyl-phenoxy)-1-phenyl-2-(p-tolyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2R,3S)-3-(4-chloro-2-methylphenoxy)-2-(4-methylphenyl)-1-phenyl-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2R,3S)-3-(4-chloro-2-methylphenoxy)-2-(4-methylphenyl)-1-phenyl-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2R,3S)-3-(4-chloro-2-methyl-phenoxy)-1-phenyl-2-(p-tolyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C28H33ClNO2+ MolecularWeight: 451.02012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)C)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCC3)OC4=C(C=C(C=C4)Cl)C)O

InChI

InChI=1S/C28H32ClNO2/c1-21-10-12-24(13-11-21)28(31,19-23-8-4-3-5-9-23)27(20-30-16-6-7-17-30)32-26-15-14-25(29)18-22(26)2/h3-5,8-15,18,27,31H,6-7,16-17,19-20H2,1-2H3/p+1/t27-,28+/m0/s1