2-[2-[3-(1,3-dioxolan-2-yl)propyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide

Systemtic Name: 2-[2-[3-(1,3-dioxolan-2-yl)propyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Openeye Name: 2-[2-[3-(1,3-dioxolan-2-yl)propyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide CAS Name: 2-[2-[3-(1,3-dioxolan-2-yl)propyl]-1-pyridin-1-iumyl]-1-phenylethanone bromide IUPAC Name: 2-[2-[3-(1,3-dioxolan-2-yl)propyl]pyridin-1-ium-1-yl]-1-phenylethanone bromide Traditional Name: 2-[2-[3-(1,3-dioxolan-2-yl)propyl]pyridin-1-ium-1-yl]-1-phenyl-ethanone bromide Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CCCC2=CC=CC=[N+]2CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

C1COC(O1)CCCC2=CC=CC=[N+]2CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C19H22NO3.BrH/c21-18(16-7-2-1-3-8-16)15-20-12-5-4-9-17(20)10-6-11-19-22-13-14-23-19;/h1-5,7-9,12,19H,6,10-11,13-15H2;1H/q+1;/p-1