(2S,3S)-2-(4-methylphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol

Systemtic Name: (2S,3S)-2-(4-methylphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-1,3-diphenyl-2-(p-tolyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-2-(4-methylphenyl)-1,3-diphenyl-4-(1-pyrrolidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-2-(4-methylphenyl)-1,3-diphenyl-4-pyrrolidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-1,3-diphenyl-2-(p-tolyl)-4-pyrrolidin-1-ium-1-yl-butan-2-ol Formula: C27H32NO+ MolecularWeight: 386.54908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H31NO/c1-22-14-16-25(17-15-22)27(29,20-23-10-4-2-5-11-23)26(21-28-18-8-9-19-28)24-12-6-3-7-13-24/h2-7,10-17,26,29H,8-9,18-21H2,1H3/p+1/t26-,27-/m1/s1