4-[(2,4,5-trimethyl-1,3-oxazol-3-ium-3-yl)methyl]benzoic acid

Systemtic Name: 4-[(2,4,5-trimethyl-1,3-oxazol-3-ium-3-yl)methyl]benzoic acid Openeye Name: 4-[(2,4,5-trimethyloxazol-3-ium-3-yl)methyl]benzoic acid CAS Name: 4-[(2,4,5-trimethyl-3-oxazol-3-iumyl)methyl]benzoic acid IUPAC Name: 4-[(2,4,5-trimethyl-1,3-oxazol-3-ium-3-yl)methyl]benzoic acid Traditional Name: 4-[(2,4,5-trimethyloxazol-3-ium-3-yl)methyl]benzoic acid Formula: C14H16NO3+ MolecularWeight: 246.28174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=[N+]1CC2=CC=C(C=C2)C(=O)O)C)C

Isomeric SMILES

CC1=C(OC(=[N+]1CC2=CC=C(C=C2)C(=O)O)C)C

InChI

InChI=1S/C14H15NO3/c1-9-10(2)18-11(3)15(9)8-12-4-6-13(7-5-12)14(16)17/h4-7H,8H2,1-3H3/p+1