ethyl 4-[(4-chloranyl-2,6-dimethyl-pyridin-1-ium-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(4-chloranyl-2,6-dimethyl-pyridin-1-ium-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(4-chloro-2,6-dimethyl-pyridin-1-ium-3-carbonyl)amino]benzoate CAS Name: 4-[[(4-chloro-2,6-dimethyl-3-pyridin-1-iumyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-chloro-2,6-dimethylpyridin-1-ium-3-carbonyl)amino]benzoate Traditional Name: 4-[(4-chloro-2,6-dimethyl-pyridin-1-ium-3-carbonyl)amino]benzoic acid ethyl ester Formula: C17H18ClN2O3+ MolecularWeight: 333.78942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C([NH+]=C(C=C2Cl)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C([NH+]=C(C=C2Cl)C)C

InChI

InChI=1S/C17H17ClN2O3/c1-4-23-17(22)12-5-7-13(8-6-12)20-16(21)15-11(3)19-10(2)9-14(15)18/h5-9H,4H2,1-3H3,(H,20,21)/p+1