ethyl 7-bromanyl-1-methyl-4-oxidanylidene-1-(phenylmethyl)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-bromanyl-1-methyl-4-oxidanylidene-1-(phenylmethyl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 1-benzyl-7-bromo-1-methyl-4-oxo-quinolin-1-ium-3-carboxylate CAS Name: 7-bromo-1-methyl-4-oxo-1-(phenylmethyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-7-bromo-1-methyl-4-oxoquinolin-1-ium-3-carboxylate Traditional Name: 1-benzyl-7-bromo-4-keto-1-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C20H19BrNO3+ MolecularWeight: 401.27376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](C2=C(C1=O)C=CC(=C2)Br)(C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C[N+](C2=C(C1=O)C=CC(=C2)Br)(C)CC3=CC=CC=C3

InChI

InChI=1S/C20H19BrNO3/c1-3-25-20(24)17-13-22(2,12-14-7-5-4-6-8-14)18-11-15(21)9-10-16(18)19(17)23/h4-11,13H,3,12H2,1-2H3/q+1