1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium bromide

Systemtic Name: 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium bromide Openeye Name: 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium bromide CAS Name: 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium bromide IUPAC Name: 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-1-methylpiperidin-1-ium bromide Traditional Name: 1-[(2,2-diphenyl-1,3-dioxolan-4-yl)methyl]-1-methyl-piperidin-1-ium bromide Formula: C22H28BrNO2 MolecularWeight: 418.36722

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1)CC2COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H28NO2.BrH/c1-23(15-9-4-10-16-23)17-21-18-24-22(25-21,19-11-5-2-6-12-19)20-13-7-3-8-14-20;/h2-3,5-8,11-14,21H,4,9-10,15-18H2,1H3;1H/q+1;/p-1