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

Systemtic Name: ethyl 6-methyl-4-(3-oxidanylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(3-hydroxypropylamino)-6-methyl-quinolin-1-ium-3-carboxylate CAS Name: 4-(3-hydroxypropylamino)-6-methyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-hydroxypropylamino)-6-methylquinolin-1-ium-3-carboxylate Traditional Name: 4-(3-hydroxypropylamino)-6-methyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-3-21-16(20)13-10-18-14-6-5-11(2)9-12(14)15(13)17-7-4-8-19/h5-6,9-10,19H,3-4,7-8H2,1-2H3,(H,17,18)/p+1