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

Systemtic Name: 2-[4-(dimethylamino)-6-morpholin-4-yl-quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[4-(dimethylamino)-6-morpholino-quinolin-1-ium-2-yl]acetate CAS Name: 2-[4-(dimethylamino)-6-(4-morpholinyl)-2-quinolin-1-iumyl]acetate IUPAC Name: 2-[4-(dimethylamino)-6-morpholin-4-ylquinolin-1-ium-2-yl]acetate Traditional Name: 2-[4-(dimethylamino)-6-morpholino-quinolin-1-ium-2-yl]acetate Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)N3CCOCC3)CC(=O)[O-]

Isomeric SMILES

CN(C)C1=CC(=[NH+]C2=C1C=C(C=C2)N3CCOCC3)CC(=O)[O-]

InChI

InChI=1S/C17H21N3O3/c1-19(2)16-9-12(10-17(21)22)18-15-4-3-13(11-14(15)16)20-5-7-23-8-6-20/h3-4,9,11H,5-8,10H2,1-2H3,(H,21,22)