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

Systemtic Name: 2-[4-(dimethylamino)-6-phenoxy-quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[4-(dimethylamino)-6-phenoxy-quinolin-1-ium-2-yl]acetate CAS Name: 2-[4-(dimethylamino)-6-phenoxy-2-quinolin-1-iumyl]acetate IUPAC Name: 2-[4-(dimethylamino)-6-phenoxyquinolin-1-ium-2-yl]acetate Traditional Name: 2-[4-(dimethylamino)-6-phenoxy-quinolin-1-ium-2-yl]acetate Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)OC3=CC=CC=C3)CC(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)OC3=CC=CC=C3)CC(=O)[O-]

InChI

InChI=1S/C19H18N2O3/c1-21(2)18-10-13(11-19(22)23)20-17-9-8-15(12-16(17)18)24-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,22,23)