(3,4-dimethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-quinolin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-quinolin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-quinolin-1-ium-3-yl]methanone CAS Name: (3,4-dimethylphenyl)-[4-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-3-quinolin-1-iumyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoroquinolin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethylphenyl)-[4-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-quinolin-1-ium-3-yl]methanone Formula: C24H28FN3O+2 MolecularWeight: 393.497023

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC(=C(C=C4)C)C)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC(=C(C=C4)C)C)F

InChI

InChI=1S/C24H26FN3O/c1-4-27-9-11-28(12-10-27)23-20-14-19(25)7-8-22(20)26-15-21(23)24(29)18-6-5-16(2)17(3)13-18/h5-8,13-15H,4,9-12H2,1-3H3/p+2