1-[(2S)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(2S)-6-fluoranyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C21H27FN4O+2 MolecularWeight: 370.463683

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C=CC(=C2)F

Isomeric SMILES

C[C@H]1CCC2=C(N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C=CC(=C2)F

InChI

InChI=1S/C21H25FN4O/c1-16-5-6-17-14-18(22)7-8-19(17)26(16)21(27)15-24-10-12-25(13-11-24)20-4-2-3-9-23-20/h2-4,7-9,14,16H,5-6,10-13,15H2,1H3/p+2/t16-/m0/s1