2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-oxidanyl-1-(phenylmethyl)piperidin-1-ium chloride

Systemtic Name: 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-oxidanyl-1-(phenylmethyl)piperidin-1-ium chloride Openeye Name: 1-benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxy-piperidin-1-ium chloride CAS Name: 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxy-1-(phenylmethyl)piperidin-1-ium chloride IUPAC Name: 1-benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxypiperidin-1-ium chloride Traditional Name: 1-benzyl-2-(2,2-diphenyl-1,3-dioxolan-4-yl)-1-hydroxy-piperidin-1-ium chloride Formula: C27H30ClNO3 MolecularWeight: 451.985

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)(CC5=CC=CC=C5)O.[Cl-]

Isomeric SMILES

C1CC[N+](C(C1)C2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)(CC5=CC=CC=C5)O.[Cl-]

InChI

InChI=1S/C27H30NO3.ClH/c29-28(20-22-12-4-1-5-13-22)19-11-10-18-25(28)26-21-30-27(31-26,23-14-6-2-7-15-23)24-16-8-3-9-17-24;/h1-9,12-17,25-26,29H,10-11,18-21H2;1H/q+1;/p-1