5-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1-oxidanidyl-pyrazin-1-ium-2-carbonitrile

Systemtic Name: 5-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1-oxidanidyl-pyrazin-1-ium-2-carbonitrile Openeye Name: 5-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1-oxido-pyrazin-1-ium-2-carbonitrile CAS Name: 5-ethyl-3-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-1-oxido-2-pyrazin-1-iumcarbonitrile IUPAC Name: 5-ethyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1-oxidopyrazin-1-ium-2-carbonitrile Traditional Name: 5-ethyl-3-[4-(4-fluorophenyl)piperazino]-6-methyl-1-oxido-pyrazin-1-ium-2-carbonitrile Formula: C18H20FN5O MolecularWeight: 341.382703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C([N+](=C1C)[O-])C#N)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=NC(=C([N+](=C1C)[O-])C#N)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN5O/c1-3-16-13(2)24(25)17(12-20)18(21-16)23-10-8-22(9-11-23)15-6-4-14(19)5-7-15/h4-7H,3,8-11H2,1-2H3