[4-[(7-chloranylquinolin-4-yl)amino]phenyl]-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)methanone

Systemtic Name: [4-[(7-chloranylquinolin-4-yl)amino]phenyl]-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)methanone Openeye Name: [4-[(7-chloro-4-quinolyl)amino]phenyl]-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)methanone CAS Name: [4-[(7-chloro-4-quinolinyl)amino]phenyl]-[1-(2-pyrimidinyl)-1-piperazin-1-iumyl]methanone IUPAC Name: [4-[(7-chloroquinolin-4-yl)amino]phenyl]-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)methanone Traditional Name: [4-[(7-chloro-4-quinolyl)amino]phenyl]-[1-(2-pyrimidyl)piperazin-1-ium-1-yl]methanone Formula: C24H22ClN6O+ MolecularWeight: 445.92408

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl

Isomeric SMILES

C1C[N+](CCN1)(C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl

InChI

InChI=1S/C24H21ClN6O/c25-18-4-7-20-21(8-11-27-22(20)16-18)30-19-5-2-17(3-6-19)23(32)31(14-12-26-13-15-31)24-28-9-1-10-29-24/h1-11,16,26H,12-15H2/p+1