(6-bromanyl-2-phenyl-quinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (6-bromanyl-2-phenyl-quinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (6-bromo-2-phenyl-4-quinolyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (6-bromo-2-phenyl-4-quinolinyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (6-bromo-2-phenylquinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (6-bromo-2-phenyl-4-quinolyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C25H22BrN4O+ MolecularWeight: 474.37238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=NC4=C3C=C(C=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C25H21BrN4O/c26-19-9-10-22-20(16-19)21(17-23(28-22)18-6-2-1-3-7-18)25(31)30-14-12-29(13-15-30)24-8-4-5-11-27-24/h1-11,16-17H,12-15H2/p+1