methyl 1-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-bromo-2-methylanilino)-2-oxoethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C16H16BrN2O3+ MolecularWeight: 364.21384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C[N+]2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C[N+]2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C16H15BrN2O3/c1-11-8-13(17)5-6-14(11)18-15(20)10-19-7-3-4-12(9-19)16(21)22-2/h3-9H,10H2,1-2H3/p+1