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

Systemtic Name: (2S)-1,1-bis(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (2S)-2-phenyl-1,1-bis(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (2S)-1,1-bis(4-methylphenyl)-2-phenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (2S)-1,1-bis(4-methylphenyl)-2-phenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (2S)-2-phenyl-1,1-bis(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C27H32NO+ MolecularWeight: 386.54908

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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)C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO/c1-21-10-14-24(15-11-21)27(29,25-16-12-22(2)13-17-25)26(20-28-18-6-7-19-28)23-8-4-3-5-9-23/h3-5,8-17,26,29H,6-7,18-20H2,1-2H3/p+1/t26-/m1/s1