ethyl 6-chloranyl-8-methyl-4-(3-oxidanylpropylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-8-methyl-4-(3-oxidanylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-chloro-4-(3-hydroxypropylamino)-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 6-chloro-4-(3-hydroxypropylamino)-8-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-4-(3-hydroxypropylamino)-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 6-chloro-4-(3-hydroxypropylamino)-8-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H20ClN2O3+ MolecularWeight: 323.7946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCCCO

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=CC(=C2[NH+]=C1)C)Cl)NCCCO

InChI

InChI=1S/C16H19ClN2O3/c1-3-22-16(21)13-9-19-14-10(2)7-11(17)8-12(14)15(13)18-5-4-6-20/h7-9,20H,3-6H2,1-2H3,(H,18,19)/p+1