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

Systemtic Name: (1R,2R)-2-(4-chloranyl-2-methyl-phenoxy)-1-(4-methylphenyl)-1-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2R)-2-(4-chloro-2-methyl-phenoxy)-1-phenyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2R)-2-(4-chloro-2-methylphenoxy)-1-(4-methylphenyl)-1-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1R,2R)-2-(4-chloro-2-methylphenoxy)-1-(4-methylphenyl)-1-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2R)-2-(4-chloro-2-methyl-phenoxy)-1-phenyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C27H31ClNO2+ MolecularWeight: 436.99354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClNO2/c1-20-10-12-23(13-11-20)27(30,22-8-4-3-5-9-22)26(19-29-16-6-7-17-29)31-25-15-14-24(28)18-21(25)2/h3-5,8-15,18,26,30H,6-7,16-17,19H2,1-2H3/p+1/t26-,27-/m1/s1