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

Systemtic Name: (1R,2S)-1-(4-ethylphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (1R,2S)-1-(4-ethylphenyl)-1-(m-tolyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (1R,2S)-1-(4-ethylphenyl)-1-(3-methylphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (1R,2S)-1-(4-ethylphenyl)-1-(3-methylphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (1R,2S)-1-(4-ethylphenyl)-1-(m-tolyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C29H36NO+ MolecularWeight: 414.60224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H35NO/c1-3-24-15-17-26(18-16-24)29(31,27-14-10-11-23(2)21-27)28(25-12-6-4-7-13-25)22-30-19-8-5-9-20-30/h4,6-7,10-18,21,28,31H,3,5,8-9,19-20,22H2,1-2H3/p+1/t28-,29-/m1/s1