3-azanyl-3-[4-(4-fluorophenyl)piperazin-1-ium-1-ylidene]propanenitrile

Systemtic Name: 3-azanyl-3-[4-(4-fluorophenyl)piperazin-1-ium-1-ylidene]propanenitrile Openeye Name: 3-amino-3-[4-(4-fluorophenyl)piperazin-1-ium-1-ylidene]propanenitrile CAS Name: 3-amino-3-[4-(4-fluorophenyl)-1-piperazin-1-iumylidene]propanenitrile IUPAC Name: 3-amino-3-[4-(4-fluorophenyl)piperazin-1-ium-1-ylidene]propanenitrile Traditional Name: 3-amino-3-[4-(4-fluorophenyl)piperazin-1-ium-1-ylidene]propionitrile Formula: C13H16FN4+ MolecularWeight: 247.291343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C(CC#N)N)CCN1C2=CC=C(C=C2)F

Isomeric SMILES

C1C[N+](=C(CC#N)N)CCN1C2=CC=C(C=C2)F

InChI

InChI=1S/C13H15FN4/c14-11-1-3-12(4-2-11)17-7-9-18(10-8-17)13(16)5-6-15/h1-4,16H,5,7-10H2/p+1