2-[[2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonic acid

Systemtic Name: 2-[[2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonic acid Openeye Name: 2-[[2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonic acid CAS Name: 2-[[2-(2-methyl-1,3-dioxolan-2-yl)-1-pyridin-1-iumyl]methyl]benzenesulfonic acid IUPAC Name: 2-[[2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]benzenesulfonic acid Traditional Name: 2-[[2-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium-1-yl]methyl]besylic acid Formula: C16H18NO5S+ MolecularWeight: 336.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCCO1)C2=CC=CC=[N+]2CC3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CC1(OCCO1)C2=CC=CC=[N+]2CC3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C16H17NO5S/c1-16(21-10-11-22-16)15-8-4-5-9-17(15)12-13-6-2-3-7-14(13)23(18,19)20/h2-9H,10-12H2,1H3/p+1