5-[7-[2-(2-hydroxyethyl)-3-methyl-1,2-oxazol-2-ium-5-yl]heptoxy]thiophene-2-carboxylic acid

Systemtic Name: 5-[7-[2-(2-hydroxyethyl)-3-methyl-1,2-oxazol-2-ium-5-yl]heptoxy]thiophene-2-carboxylic acid Openeye Name: 5-[7-[2-(2-hydroxyethyl)-3-methyl-isoxazol-2-ium-5-yl]heptoxy]thiophene-2-carboxylic acid CAS Name: 5-[7-[2-(2-hydroxyethyl)-3-methyl-5-isoxazol-2-iumyl]heptoxy]-2-thiophenecarboxylic acid IUPAC Name: 5-[7-[2-(2-hydroxyethyl)-3-methyl-1,2-oxazol-2-ium-5-yl]heptoxy]thiophene-2-carboxylic acid Traditional Name: 5-[7-[2-(2-hydroxyethyl)-3-methyl-isoxazol-2-ium-5-yl]heptoxy]-2-thenoic acid Formula: C18H26NO5S+ MolecularWeight: 368.46774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](OC(=C1)CCCCCCCOC2=CC=C(S2)C(=O)O)CCO

Isomeric SMILES

CC1=[N+](OC(=C1)CCCCCCCOC2=CC=C(S2)C(=O)O)CCO

InChI

InChI=1S/C18H25NO5S/c1-14-13-15(24-19(14)10-11-20)7-5-3-2-4-6-12-23-17-9-8-16(25-17)18(21)22/h8-9,13,20H,2-7,10-12H2,1H3/p+1