2-[7-fluoranyl-2-oxidanylidene-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[7-fluoranyl-2-oxidanylidene-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[7-fluoro-2-oxo-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1-quinolyl]ethyl-dimethyl-ammonium CAS Name: 2-[7-fluoro-2-oxo-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1-quinolinyl]ethyl-dimethylammonium IUPAC Name: 2-[7-fluoro-2-oxo-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[7-fluoro-2-keto-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1-quinolyl]ethyl-dimethyl-ammonium Formula: C23H31FN5O+3 MolecularWeight: 412.523543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C2=C(C=CC(=C2)F)C=C(C1=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[NH+](C)CCN1C2=C(C=CC(=C2)F)C=C(C1=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H28FN5O/c1-26(2)9-14-29-21-16-20(24)7-6-18(21)15-19(23(29)30)17-27-10-12-28(13-11-27)22-5-3-4-8-25-22/h3-8,15-16H,9-14,17H2,1-2H3/p+3