(1S,2S)-1-(2-methoxyphenyl)-1-(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol

Systemtic Name: (1S,2S)-1-(2-methoxyphenyl)-1-(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(2-methoxyphenyl)-2-phenyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(2-methoxyphenyl)-1-(4-methylphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(2-methoxyphenyl)-1-(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(2-methoxyphenyl)-2-phenyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C27H32NO2+ MolecularWeight: 402.54848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2OC)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](C2=CC=CC=C2OC)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H31NO2/c1-21-14-16-23(17-15-21)27(29,24-12-6-7-13-26(24)30-2)25(20-28-18-8-9-19-28)22-10-4-3-5-11-22/h3-7,10-17,25,29H,8-9,18-20H2,1-2H3/p+1/t25-,27+/m1/s1