methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]isoquinolin-2-ium-7-carboxylate bromide

Systemtic Name: methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]isoquinolin-2-ium-7-carboxylate bromide Openeye Name: methyl 2-(2-tert-butoxy-2-oxo-ethyl)isoquinolin-2-ium-7-carboxylate bromide CAS Name: 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-7-isoquinolin-2-iumcarboxylic acid methyl ester bromide IUPAC Name: methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]isoquinolin-2-ium-7-carboxylate bromide Traditional Name: 2-(2-tert-butoxy-2-keto-ethyl)isoquinolin-2-ium-7-carboxylic acid methyl ester bromide Formula: C17H20BrNO4 MolecularWeight: 382.249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+]1=CC2=C(C=CC(=C2)C(=O)OC)C=C1.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)C[N+]1=CC2=C(C=CC(=C2)C(=O)OC)C=C1.[Br-]

InChI

InChI=1S/C17H20NO4.BrH/c1-17(2,3)22-15(19)11-18-8-7-12-5-6-13(16(20)21-4)9-14(12)10-18;/h5-10H,11H2,1-4H3;1H/q+1;/p-1