2-[5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]pyridin-2-yl]carbonylbenzoic acid

Systemtic Name: 2-[5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]pyridin-2-yl]carbonylbenzoic acid Openeye Name: 2-[5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]pyridine-2-carbonyl]benzoic acid CAS Name: 2-[[5-[[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-2-pyridinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]pyridine-2-carbonyl]benzoic acid Traditional Name: 2-[5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]picolinoyl]benzoic acid Formula: C20H19N2O4S+ MolecularWeight: 383.44086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)CCO

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)CCO

InChI

InChI=1S/C20H18N2O4S/c1-13-18(8-9-23)27-12-22(13)11-14-6-7-17(21-10-14)19(24)15-4-2-3-5-16(15)20(25)26/h2-7,10,12,23H,8-9,11H2,1H3/p+1