N-(2,3-dimethylphenyl)-2-[4-[(6-fluoranylquinolin-8-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-[(6-fluoranylquinolin-8-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-[(6-fluoro-8-quinolyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(6-fluoro-8-quinolinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-[(6-fluoro-8-quinolyl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C24H28FN4O+ MolecularWeight: 407.503723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=C4C(=CC(=C3)F)C=CC=N4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CC3=C4C(=CC(=C3)F)C=CC=N4)C

InChI

InChI=1S/C24H27FN4O/c1-17-5-3-7-22(18(17)2)27-23(30)16-29-11-9-28(10-12-29)15-20-14-21(25)13-19-6-4-8-26-24(19)20/h3-8,13-14H,9-12,15-16H2,1-2H3,(H,27,30)/p+1