(E)-3-(4-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile CAS Name: (E)-3-(4-fluorophenyl)-3-(4-methyl-1-piperazin-4-iumyl)-2-propenenitrile IUPAC Name: (E)-3-(4-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-fluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)acrylonitrile Formula: C14H17FN3+ MolecularWeight: 246.303283

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=CC#N)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C14H16FN3/c1-17-8-10-18(11-9-17)14(6-7-16)12-2-4-13(15)5-3-12/h2-6H,8-11H2,1H3/p+1/b14-6+