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

Systemtic Name: (6-bromanyl-2-pyridin-4-yl-quinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(4-pyridyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (6-bromo-2-pyridin-4-yl-4-quinolinyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (6-bromo-2-pyridin-4-ylquinolin-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [6-bromo-2-(4-pyridyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C24H21BrN5O+ MolecularWeight: 475.36044

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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=NC=C5

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrN5O/c25-18-4-5-21-19(15-18)20(16-22(28-21)17-6-9-26-10-7-17)24(31)30-13-11-29(12-14-30)23-3-1-2-8-27-23/h1-10,15-16H,11-14H2/p+1