2-[6-bromanyl-4-(dimethylamino)quinolin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[6-bromanyl-4-(dimethylamino)quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[6-bromo-4-(dimethylamino)quinolin-1-ium-2-yl]acetate CAS Name: 2-[6-bromo-4-(dimethylamino)-2-quinolin-1-iumyl]acetate IUPAC Name: 2-[6-bromo-4-(dimethylamino)quinolin-1-ium-2-yl]acetate Traditional Name: 2-[6-bromo-4-(dimethylamino)quinolin-1-ium-2-yl]acetate Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)Br)CC(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)Br)CC(=O)[O-]

InChI

InChI=1S/C13H13BrN2O2/c1-16(2)12-6-9(7-13(17)18)15-11-4-3-8(14)5-10(11)12/h3-6H,7H2,1-2H3,(H,17,18)