[4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(2,3-diethylquinoxalin-6-yl)methanone

Systemtic Name: [4-(7-chloranylquinolin-1-ium-4-yl)piperazin-1-yl]-(2,3-diethylquinoxalin-6-yl)methanone Openeye Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(2,3-diethylquinoxalin-6-yl)methanone CAS Name: [4-(7-chloro-4-quinolin-1-iumyl)-1-piperazinyl]-(2,3-diethyl-6-quinoxalinyl)methanone IUPAC Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazin-1-yl]-(2,3-diethylquinoxalin-6-yl)methanone Traditional Name: [4-(7-chloroquinolin-1-ium-4-yl)piperazino]-(2,3-diethylquinoxalin-6-yl)methanone Formula: C26H27ClN5O+ MolecularWeight: 460.97848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl)N=C1CC

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=C5C=CC(=CC5=[NH+]C=C4)Cl)N=C1CC

InChI

InChI=1S/C26H26ClN5O/c1-3-20-21(4-2)30-24-15-17(5-8-22(24)29-20)26(33)32-13-11-31(12-14-32)25-9-10-28-23-16-18(27)6-7-19(23)25/h5-10,15-16H,3-4,11-14H2,1-2H3/p+1