(2R)-2-(3-fluoranyl-4-methoxy-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2R)-2-(3-fluoranyl-4-methoxy-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2R)-2-(3-fluoro-4-methoxy-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2R)-2-(3-fluoro-4-methoxyphenyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2R)-2-(3-fluoro-4-methoxyphenyl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2R)-2-(3-fluoro-4-methoxy-phenyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C14H19FN3O+ MolecularWeight: 264.318563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC(=C(C=C1)OC)F)N2CC[NH2+]CC2

Isomeric SMILES

C[C@](C#N)(C1=CC(=C(C=C1)OC)F)N2CC[NH2+]CC2

InChI

InChI=1S/C14H18FN3O/c1-14(10-16,18-7-5-17-6-8-18)11-3-4-13(19-2)12(15)9-11/h3-4,9,17H,5-8H2,1-2H3/p+1/t14-/m0/s1