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

Systemtic Name: ethyl 6-ethoxy-4-(3-oxidanylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-ethoxy-4-(3-hydroxypropylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-ethoxy-4-(3-hydroxypropylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-ethoxy-4-(3-hydroxypropylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-ethoxy-4-(3-hydroxypropylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCCO

Isomeric SMILES

CCOC1=CC2=C(C(=C[NH+]=C2C=C1)C(=O)OCC)NCCCO

InChI

InChI=1S/C17H22N2O4/c1-3-22-12-6-7-15-13(10-12)16(18-8-5-9-20)14(11-19-15)17(21)23-4-2/h6-7,10-11,20H,3-5,8-9H2,1-2H3,(H,18,19)/p+1