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

Systemtic Name: 3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]-1-(phenylsulfonyl)indole bromide Openeye Name: 1-(benzenesulfonyl)-3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]indole bromide CAS Name: 1-(benzenesulfonyl)-3-[[2-(1,3-dioxolan-2-yl)-1-pyridin-1-iumyl]methyl]indole bromide IUPAC Name: 1-(benzenesulfonyl)-3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]indole bromide Traditional Name: 1-besyl-3-[[2-(1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]indole bromide Formula: C23H21BrN2O4S MolecularWeight: 501.39284

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)C2=CC=CC=[N+]2CC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1COC(O1)C2=CC=CC=[N+]2CC3=CN(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C23H21N2O4S.BrH/c26-30(27,19-8-2-1-3-9-19)25-17-18(20-10-4-5-11-21(20)25)16-24-13-7-6-12-22(24)23-28-14-15-29-23;/h1-13,17,23H,14-16H2;1H/q+1;/p-1