ethyl 6-bromanyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-bromo-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate CAS Name: 6-bromo-4-[3-(4-morpholin-4-iumyl)propylamino]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylate Traditional Name: 6-bromo-4-(3-morpholin-4-ium-4-ylpropylamino)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H26BrN3O3+2 MolecularWeight: 424.33204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCC[NH+]3CCOCC3)Br

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1NCCC[NH+]3CCOCC3)Br

InChI

InChI=1S/C19H24BrN3O3/c1-2-26-19(24)16-13-22-17-5-4-14(20)12-15(17)18(16)21-6-3-7-23-8-10-25-11-9-23/h4-5,12-13H,2-3,6-11H2,1H3,(H,21,22)/p+2