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

Systemtic Name: 6-ethyl-3-[4-(4-fluorophenyl)-2-methyl-4-oxidanidyl-piperazin-4-ium-1-yl]pyrazine-2-carbonitrile Openeye Name: 6-ethyl-3-[4-(4-fluorophenyl)-2-methyl-4-oxido-piperazin-4-ium-1-yl]pyrazine-2-carbonitrile CAS Name: 6-ethyl-3-[4-(4-fluorophenyl)-2-methyl-4-oxido-1-piperazin-4-iumyl]-2-pyrazinecarbonitrile IUPAC Name: 6-ethyl-3-[4-(4-fluorophenyl)-2-methyl-4-oxidopiperazin-4-ium-1-yl]pyrazine-2-carbonitrile Traditional Name: 6-ethyl-3-[4-(4-fluorophenyl)-2-methyl-4-oxido-piperazin-4-ium-1-yl]pyrazinonitrile Formula: C18H20FN5O MolecularWeight: 341.382703

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C(=N1)C#N)N2CC[N+](CC2C)(C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

CCC1=CN=C(C(=N1)C#N)N2CC[N+](CC2C)(C3=CC=C(C=C3)F)[O-]

InChI

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