ethyl 7-chloranyl-8-methyl-4-(3-oxidanylpropylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-8-methyl-4-(3-oxidanylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-chloro-4-(3-hydroxypropylamino)-8-methyl-quinolin-1-ium-3-carboxylate CAS Name: 7-chloro-4-(3-hydroxypropylamino)-8-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-4-(3-hydroxypropylamino)-8-methylquinolin-1-ium-3-carboxylate Traditional Name: 7-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[NH+]=C2C(=C(C=CC2=C1NCCCO)Cl)C

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C(C=CC2=C1NCCCO)Cl)C

InChI

InChI=1S/C16H19ClN2O3/c1-3-22-16(21)12-9-19-14-10(2)13(17)6-5-11(14)15(12)18-7-4-8-20/h5-6,9,20H,3-4,7-8H2,1-2H3,(H,18,19)/p+1