ethyl 7,8-dimethyl-4-(3-oxidanylpropylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7,8-dimethyl-4-(3-oxidanylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(3-hydroxypropylamino)-7,8-dimethyl-quinolin-1-ium-3-carboxylate CAS Name: 4-(3-hydroxypropylamino)-7,8-dimethyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-hydroxypropylamino)-7,8-dimethylquinolin-1-ium-3-carboxylate Traditional Name: 4-(3-hydroxypropylamino)-7,8-dimethyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-4-22-17(21)14-10-19-15-12(3)11(2)6-7-13(15)16(14)18-8-5-9-20/h6-7,10,20H,4-5,8-9H2,1-3H3,(H,18,19)/p+1