2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-ol chloride

Systemtic Name: 2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-ol chloride Openeye Name: 1-(4-isopropoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol chloride CAS Name: 2-phenyl-3-(1-piperidin-1-iumyl)-1-(4-propan-2-yloxyphenyl)-1-propanol chloride IUPAC Name: 2-phenyl-3-piperidin-1-ium-1-yl-1-(4-propan-2-yloxyphenyl)propan-1-ol chloride Traditional Name: 1-(4-isopropoxyphenyl)-2-phenyl-3-piperidin-1-ium-1-yl-propan-1-ol chloride Formula: C23H32ClNO2 MolecularWeight: 389.95868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C23H31NO2.ClH/c1-18(2)26-21-13-11-20(12-14-21)23(25)22(19-9-5-3-6-10-19)17-24-15-7-4-8-16-24;/h3,5-6,9-14,18,22-23,25H,4,7-8,15-17H2,1-2H3;1H