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

Systemtic Name: (7-fluoranyl-2-methyl-quinolin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (7-fluoro-2-methyl-3-quinolyl)-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (7-fluoro-2-methyl-3-quinolinyl)-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (7-fluoro-2-methylquinolin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-(7-fluoro-2-methyl-3-quinolyl)methanone Formula: C22H22F2N3O+ MolecularWeight: 382.426386

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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=CC=C4F

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C22H21F2N3O/c1-15-19(12-16-6-7-18(23)13-21(16)25-15)22(28)27-10-8-26(9-11-27)14-17-4-2-3-5-20(17)24/h2-7,12-13H,8-11,14H2,1H3/p+1