[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(7-fluoranyl-2-methyl-quinolin-3-yl)methanone

Systemtic Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(7-fluoranyl-2-methyl-quinolin-3-yl)methanone Openeye Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(7-fluoro-2-methyl-3-quinolyl)methanone CAS Name: [4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-(7-fluoro-2-methyl-3-quinolinyl)methanone IUPAC Name: [4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-(7-fluoro-2-methylquinolin-3-yl)methanone Traditional Name: [4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-(7-fluoro-2-methyl-3-quinolyl)methanone Formula: C22H22ClFN3O+ MolecularWeight: 398.880983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H21ClFN3O/c1-15-20(12-17-4-7-19(24)13-21(17)25-15)22(28)27-10-8-26(9-11-27)14-16-2-5-18(23)6-3-16/h2-7,12-13H,8-11,14H2,1H3/p+1