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

Systemtic Name: 2-[4-(dimethylamino)-6-phenylmethoxy-quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[6-benzyloxy-4-(dimethylamino)quinolin-1-ium-2-yl]acetate CAS Name: 2-[4-(dimethylamino)-6-phenylmethoxy-2-quinolin-1-iumyl]acetate IUPAC Name: 2-[4-(dimethylamino)-6-phenylmethoxyquinolin-1-ium-2-yl]acetate Traditional Name: 2-[6-benzoxy-4-(dimethylamino)quinolin-1-ium-2-yl]acetate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)OCC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C20H20N2O3/c1-22(2)19-10-15(11-20(23)24)21-18-9-8-16(12-17(18)19)25-13-14-6-4-3-5-7-14/h3-10,12H,11,13H2,1-2H3,(H,23,24)