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

Systemtic Name: (1S,2S)-1-(4-methylphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1,2-diphenyl-3-piperidin-1-ium-1-yl-1-(p-tolyl)propan-1-ol CAS Name: (1S,2S)-1-(4-methylphenyl)-1,2-diphenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(4-methylphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1,2-diphenyl-3-piperidin-1-ium-1-yl-1-(p-tolyl)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=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@](C2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

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