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

Systemtic Name: (1S,2S)-1,2-diphenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol Openeye Name: (1S,2S)-1,2-diphenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol CAS Name: (1S,2S)-1,2-diphenyl-3-(1-piperidin-1-iumyl)-1-(4-propoxyphenyl)-1-propanol IUPAC Name: (1S,2S)-1,2-diphenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol Traditional Name: (1S,2S)-1,2-diphenyl-3-piperidin-1-ium-1-yl-1-(4-propoxyphenyl)propan-1-ol Formula: C29H36NO2+ MolecularWeight: 430.60164

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@@](C2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H35NO2/c1-2-22-32-27-18-16-26(17-19-27)29(31,25-14-8-4-9-15-25)28(24-12-6-3-7-13-24)23-30-20-10-5-11-21-30/h3-4,6-9,12-19,28,31H,2,5,10-11,20-23H2,1H3/p+1/t28-,29+/m1/s1