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

Systemtic Name: (1S,2S)-1-(2-methoxyphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1S,2S)-1-(2-methoxyphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1S,2S)-1-(2-methoxyphenyl)-1,2-diphenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1S,2S)-1-(2-methoxyphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1S,2S)-1-(2-methoxyphenyl)-1,2-diphenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C27H32NO2+ MolecularWeight: 402.54848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC=C1[C@@](C2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H31NO2/c1-30-26-18-10-9-17-24(26)27(29,23-15-7-3-8-16-23)25(22-13-5-2-6-14-22)21-28-19-11-4-12-20-28/h2-3,5-10,13-18,25,29H,4,11-12,19-21H2,1H3/p+1/t25-,27+/m1/s1