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

Systemtic Name: (1S,2S)-2-[2,4-bis(chloranyl)phenoxy]-1-(4-methoxyphenyl)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-2-(2,4-dichlorophenoxy)-1-(4-methoxyphenyl)-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-2-(2,4-dichlorophenoxy)-1-(4-methoxyphenyl)-1-(4-methylphenyl)-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-2-(2,4-dichlorophenoxy)-1-(4-methoxyphenyl)-1-(4-methylphenyl)-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-2-(2,4-dichlorophenoxy)-1-(4-methoxyphenyl)-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C27H30Cl2NO3+ MolecularWeight: 487.438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29Cl2NO3/c1-19-5-7-20(8-6-19)27(31,21-9-12-23(32-2)13-10-21)26(18-30-15-3-4-16-30)33-25-14-11-22(28)17-24(25)29/h5-14,17,26,31H,3-4,15-16,18H2,1-2H3/p+1/t26-,27-/m0/s1