(3,4-dimethylphenyl)-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone

Systemtic Name: (3,4-dimethylphenyl)-[3-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone Openeye Name: (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone CAS Name: (3,4-dimethylphenyl)-[3-fluoro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]methanone IUPAC Name: (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone Traditional Name: (3,4-dimethylphenyl)-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]methanone Formula: C20H24FN2O+ MolecularWeight: 327.415763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)F)C

InChI

InChI=1S/C20H23FN2O/c1-14-4-5-16(12-15(14)2)20(24)17-6-7-19(18(21)13-17)23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3/p+1