2-[4-(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(7-fluoro-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(7-fluoro-2-methyl-3-quinolinyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(7-fluoro-2-methyl-quinoline-3-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C21H25FN4O2/c1-15-18(12-16-4-5-17(22)13-19(16)23-15)21(28)26-10-8-24(9-11-26)14-20(27)25-6-2-3-7-25/h4-5,12-13H,2-3,6-11,14H2,1H3/p+1