ethyl 6-bromanyl-4-(5-oxidanylpentylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(5-oxidanylpentylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-bromo-4-(5-hydroxypentylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-bromo-4-(5-hydroxypentylamino)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(5-hydroxypentylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-bromo-4-(5-hydroxypentylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C17H22BrN2O3+ MolecularWeight: 382.27218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCCCCO)Br

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCCCCO)Br

InChI

InChI=1S/C17H21BrN2O3/c1-2-23-17(22)14-11-20-15-7-6-12(18)10-13(15)16(14)19-8-4-3-5-9-21/h6-7,10-11,21H,2-5,8-9H2,1H3,(H,19,20)/p+1