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

Systemtic Name: (1S,2S)-1-(4-methylphenyl)-1,2-diphenyl-3-pyrrolidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1,2-diphenyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(4-methylphenyl)-1,2-diphenyl-3-(1-pyrrolidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-methylphenyl)-1,2-diphenyl-3-pyrrolidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1,2-diphenyl-1-(p-tolyl)-3-pyrrolidin-1-ium-1-yl-propan-1-ol Formula: C26H30NO+ MolecularWeight: 372.5225

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO/c1-21-14-16-24(17-15-21)26(28,23-12-6-3-7-13-23)25(20-27-18-8-9-19-27)22-10-4-2-5-11-22/h2-7,10-17,25,28H,8-9,18-20H2,1H3/p+1/t25-,26+/m1/s1