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

Systemtic Name: (2S)-2-(4-chloranyl-2-methyl-phenoxy)-1,1-bis(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-1,1-bis(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (2S)-2-(4-chloro-2-methylphenoxy)-1,1-bis(4-methylphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (2S)-2-(4-chloro-2-methylphenoxy)-1,1-bis(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (2S)-2-(4-chloro-2-methyl-phenoxy)-1,1-bis(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C28H33ClNO2+ MolecularWeight: 451.02012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClNO2/c1-20-6-10-23(11-7-20)28(31,24-12-8-21(2)9-13-24)27(19-30-16-4-5-17-30)32-26-15-14-25(29)18-22(26)3/h6-15,18,27,31H,4-5,16-17,19H2,1-3H3/p+1/t27-/m0/s1