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

Systemtic Name: 2-[4,6-bis(dimethylamino)quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[4,6-bis(dimethylamino)quinolin-1-ium-2-yl]acetate CAS Name: 2-[4,6-bis(dimethylamino)-2-quinolin-1-iumyl]acetate IUPAC Name: 2-[4,6-bis(dimethylamino)quinolin-1-ium-2-yl]acetate Traditional Name: 2-[4,6-bis(dimethylamino)quinolin-1-ium-2-yl]acetate Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)[NH+]=C(C=C2N(C)C)CC(=O)[O-]

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)[NH+]=C(C=C2N(C)C)CC(=O)[O-]

InChI

InChI=1S/C15H19N3O2/c1-17(2)11-5-6-13-12(9-11)14(18(3)4)7-10(16-13)8-15(19)20/h5-7,9H,8H2,1-4H3,(H,19,20)