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

Systemtic Name: (2S)-1,1-bis(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (2S)-1,1-bis(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (2S)-1,1-bis(4-methoxyphenyl)-2-phenyl-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (2S)-1,1-bis(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (2S)-1,1-bis(4-methoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C28H34NO3+ MolecularWeight: 432.57446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO3/c1-31-25-15-11-23(12-16-25)28(30,24-13-17-26(32-2)18-14-24)27(22-9-5-3-6-10-22)21-29-19-7-4-8-20-29/h3,5-6,9-18,27,30H,4,7-8,19-21H2,1-2H3/p+1/t27-/m1/s1