(E)-3-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(4-fluorophenyl)-N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(4-fluorophenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylamide Formula: C21H25FN3O+ MolecularWeight: 354.441103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O/c1-16-15-19(25-13-11-24(2)12-14-25)8-9-20(16)23-21(26)10-5-17-3-6-18(22)7-4-17/h3-10,15H,11-14H2,1-2H3,(H,23,26)/p+1/b10-5+