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

Systemtic Name: (E)-3-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(4-fluorophenyl)-2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(4-fluorophenyl)-2-(4-methylpiperazin-4-ium-1-carbonyl)acrylonitrile Formula: C15H17FN3O+ MolecularWeight: 274.313383

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H16FN3O/c1-18-6-8-19(9-7-18)15(20)13(11-17)10-12-2-4-14(16)5-3-12/h2-5,10H,6-9H2,1H3/p+1/b13-10+