pyridin-1-ium-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: pyridin-1-ium-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: pyridin-1-ium-3-yl 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid 3-pyridin-1-iumyl ester IUPAC Name: pyridin-1-ium-3-yl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid pyridin-1-ium-3-yl ester Formula: C16H13N2O3+ MolecularWeight: 281.28602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=C[NH+]=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=C[NH+]=CC=C3

InChI

InChI=1S/C16H12N2O3/c1-11-14(16(19)20-13-8-5-9-17-10-13)15(18-21-11)12-6-3-2-4-7-12/h2-10H,1H3/p+1