2-(1,3-dioxolan-2-yl)-1-[(3-nitrophenyl)methyl]pyridin-1-ium bromide

Systemtic Name: 2-(1,3-dioxolan-2-yl)-1-[(3-nitrophenyl)methyl]pyridin-1-ium bromide Openeye Name: 2-(1,3-dioxolan-2-yl)-1-[(3-nitrophenyl)methyl]pyridin-1-ium bromide CAS Name: 2-(1,3-dioxolan-2-yl)-1-[(3-nitrophenyl)methyl]pyridin-1-ium bromide IUPAC Name: 2-(1,3-dioxolan-2-yl)-1-[(3-nitrophenyl)methyl]pyridin-1-ium bromide Traditional Name: 2-(1,3-dioxolan-2-yl)-1-(3-nitrobenzyl)pyridin-1-ium bromide Formula: C15H15BrN2O4 MolecularWeight: 367.1946

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=CC=CC=[N+]2CC3=CC(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1COC(O1)C2=CC=CC=[N+]2CC3=CC(=CC=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C15H15N2O4.BrH/c18-17(19)13-5-3-4-12(10-13)11-16-7-2-1-6-14(16)15-20-8-9-21-15;/h1-7,10,15H,8-9,11H2;1H/q+1;/p-1