(2E)-2-(dimethylaminomethylidene)-1-(4-fluorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)butan-1-one

Systemtic Name: (2E)-2-(dimethylaminomethylidene)-1-(4-fluorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)butan-1-one Openeye Name: (2E)-2-(dimethylaminomethylene)-1-(4-fluorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)butan-1-one CAS Name: (2E)-2-(dimethylaminomethylidene)-1-(4-fluorophenyl)-4-(4-methyl-1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2E)-2-(dimethylaminomethylidene)-1-(4-fluorophenyl)-4-(4-methylpiperazin-4-ium-1-yl)butan-1-one Traditional Name: (E)-3-(dimethylamino)-1-(4-fluorophenyl)-2-[2-(4-methylpiperazin-4-ium-1-yl)ethyl]prop-2-en-1-one Formula: C18H27FN3O+ MolecularWeight: 320.424883

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC(=CN(C)C)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[NH+]1CCN(CC1)CC/C(=C\N(C)C)/C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H26FN3O/c1-20(2)14-16(8-9-22-12-10-21(3)11-13-22)18(23)15-4-6-17(19)7-5-15/h4-7,14H,8-13H2,1-3H3/p+1/b16-14+