(1R,2S)-1-(4-ethylphenyl)-1-(2-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CC=C2OC)(C(C[NH+]3CCCCC3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@](C2=CC=CC=C2OC)([C@H](C[NH+]3CCCCC3)C4=CC=CC=C4)O

InChI

InChI=1S/C29H35NO2/c1-3-23-16-18-25(19-17-23)29(31,26-14-8-9-15-28(26)32-2)27(24-12-6-4-7-13-24)22-30-20-10-5-11-21-30/h4,6-9,12-19,27,31H,3,5,10-11,20-22H2,1-2H3/p+1/t27-,29-/m1/s1