(2,6-dimethylquinolin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2,6-dimethylquinolin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2,6-dimethyl-3-quinolyl)-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2,6-dimethyl-3-quinolinyl)-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2,6-dimethylquinolin-3-yl)-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2,6-dimethyl-3-quinolyl)-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C23H25FN3O+ MolecularWeight: 378.462503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4F

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4F

InChI

InChI=1S/C23H24FN3O/c1-16-7-8-22-19(13-16)14-20(17(2)25-22)23(28)27-11-9-26(10-12-27)15-18-5-3-4-6-21(18)24/h3-8,13-14H,9-12,15H2,1-2H3/p+1