3-[4-(4-butanoyl-2-fluoranyl-5-methyl-phenyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-butanoyl-2-fluoranyl-5-methyl-phenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-butanoyl-2-fluoro-5-methyl-phenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[2-fluoro-5-methyl-4-(1-oxobutyl)phenyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-butanoyl-2-fluoro-5-methylphenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-butyryl-2-fluoro-5-methyl-phenyl)piperazin-1-ium-1-yl]propionitrile Formula: C18H25FN3O+ MolecularWeight: 318.409003

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1C)N2CC[NH+](CC2)CCC#N)F

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1C)N2CC[NH+](CC2)CCC#N)F

InChI

InChI=1S/C18H24FN3O/c1-3-5-18(23)15-13-16(19)17(12-14(15)2)22-10-8-21(9-11-22)7-4-6-20/h12-13H,3-5,7-11H2,1-2H3/p+1