[2-chloranyl-4-[(2-oxidanidylisoquinolin-2-ium-4-yl)amino]phenyl]-(2-methylphenyl)methanone

Systemtic Name: [2-chloranyl-4-[(2-oxidanidylisoquinolin-2-ium-4-yl)amino]phenyl]-(2-methylphenyl)methanone Openeye Name: [2-chloro-4-[(2-oxidoisoquinolin-2-ium-4-yl)amino]phenyl]-(o-tolyl)methanone CAS Name: [2-chloro-4-[(2-oxido-4-isoquinolin-2-iumyl)amino]phenyl]-(2-methylphenyl)methanone IUPAC Name: [2-chloro-4-[(2-oxidoisoquinolin-2-ium-4-yl)amino]phenyl]-(2-methylphenyl)methanone Traditional Name: [2-chloro-4-[(2-oxidoisoquinolin-2-ium-4-yl)amino]phenyl]-(o-tolyl)methanone Formula: C23H17ClN2O2 MolecularWeight: 388.84628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)NC3=C[N+](=CC4=CC=CC=C43)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)NC3=C[N+](=CC4=CC=CC=C43)[O-])Cl

InChI

InChI=1S/C23H17ClN2O2/c1-15-6-2-4-8-18(15)23(27)20-11-10-17(12-21(20)24)25-22-14-26(28)13-16-7-3-5-9-19(16)22/h2-14,25H,1H3