ethyl 6-bromanyl-4-phenyl-2-piperidin-1-yl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-phenyl-2-piperidin-1-yl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-bromo-4-phenyl-2-(1-piperidyl)quinolin-1-ium-3-carboxylate CAS Name: 6-bromo-4-phenyl-2-(1-piperidinyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-phenyl-2-piperidin-1-ylquinolin-1-ium-3-carboxylate Traditional Name: 6-bromo-4-phenyl-2-piperidino-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C23H24BrN2O2+ MolecularWeight: 440.35286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C2C=CC(=CC2=C1C3=CC=CC=C3)Br)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C2C=CC(=CC2=C1C3=CC=CC=C3)Br)N4CCCCC4

InChI

InChI=1S/C23H23BrN2O2/c1-2-28-23(27)21-20(16-9-5-3-6-10-16)18-15-17(24)11-12-19(18)25-22(21)26-13-7-4-8-14-26/h3,5-6,9-12,15H,2,4,7-8,13-14H2,1H3/p+1