2-[6-chloranyl-4-(dimethylamino)-8-methoxy-5-methyl-quinolin-1-ium-2-yl]ethanoate

Systemtic Name: 2-[6-chloranyl-4-(dimethylamino)-8-methoxy-5-methyl-quinolin-1-ium-2-yl]ethanoate Openeye Name: 2-[6-chloro-4-(dimethylamino)-8-methoxy-5-methyl-quinolin-1-ium-2-yl]acetate CAS Name: 2-[6-chloro-4-(dimethylamino)-8-methoxy-5-methyl-2-quinolin-1-iumyl]acetate IUPAC Name: 2-[6-chloro-4-(dimethylamino)-8-methoxy-5-methylquinolin-1-ium-2-yl]acetate Traditional Name: 2-[6-chloro-4-(dimethylamino)-8-methoxy-5-methyl-quinolin-1-ium-2-yl]acetate Formula: C15H17ClN2O3 MolecularWeight: 308.76008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1C(=CC(=[NH+]2)CC(=O)[O-])N(C)C)OC)Cl

Isomeric SMILES

CC1=C(C=C(C2=C1C(=CC(=[NH+]2)CC(=O)[O-])N(C)C)OC)Cl

InChI

InChI=1S/C15H17ClN2O3/c1-8-10(16)7-12(21-4)15-14(8)11(18(2)3)5-9(17-15)6-13(19)20/h5,7H,6H2,1-4H3,(H,19,20)