ethyl 6,8-dimethyl-4-(5-oxidanylpentylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6,8-dimethyl-4-(5-oxidanylpentylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(5-hydroxypentylamino)-6,8-dimethyl-quinolin-1-ium-3-carboxylate CAS Name: 4-(5-hydroxypentylamino)-6,8-dimethyl-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-hydroxypentylamino)-6,8-dimethylquinolin-1-ium-3-carboxylate Traditional Name: 4-(5-hydroxypentylamino)-6,8-dimethyl-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/c1-4-24-19(23)16-12-21-17-14(3)10-13(2)11-15(17)18(16)20-8-6-5-7-9-22/h10-12,22H,4-9H2,1-3H3,(H,20,21)/p+1