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

Systemtic Name: 3-[4-(4-ethanoyl-2-fluoranyl-5-methyl-phenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-acetyl-2-fluoro-5-methyl-phenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-acetyl-2-fluoro-5-methylphenyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-acetyl-2-fluoro-5-methylphenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-acetyl-2-fluoro-5-methyl-phenyl)piperazin-1-ium-1-yl]propionitrile Formula: C16H21FN3O+ MolecularWeight: 290.355843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C)F)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C)F)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C16H20FN3O/c1-12-10-16(15(17)11-14(12)13(2)21)20-8-6-19(7-9-20)5-3-4-18/h10-11H,3,5-9H2,1-2H3/p+1