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

Systemtic Name: (2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Openeye Name: (2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-ol CAS Name: (2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-(1-piperidin-1-iumyl)-1-propanol IUPAC Name: (2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-1-ol Traditional Name: (2S)-2-(4-chlorophenyl)-1,1-bis(4-methoxyphenyl)-3-piperidin-1-ium-1-yl-propan-1-ol Formula: C28H33ClNO3+ MolecularWeight: 467.01952

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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=C(C=C4)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C28H32ClNO3/c1-32-25-14-8-22(9-15-25)28(31,23-10-16-26(33-2)17-11-23)27(20-30-18-4-3-5-19-30)21-6-12-24(29)13-7-21/h6-17,27,31H,3-5,18-20H2,1-2H3/p+1/t27-/m1/s1