methyl 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[(2-phenylthiazol-4-yl)methyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[(2-phenyl-4-thiazolyl)methyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[(2-phenylthiazol-4-yl)methyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C17H15N2O2S+ MolecularWeight: 311.3782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CC2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CC2=CSC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N2O2S/c1-21-17(20)14-8-5-9-19(10-14)11-15-12-22-16(18-15)13-6-3-2-4-7-13/h2-10,12H,11H2,1H3/q+1