(2S)-2-(3-chloranyl-4-fluoranyl-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2S)-2-(3-chloranyl-4-fluoranyl-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2S)-2-(3-chloro-4-fluoro-phenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2S)-2-(3-chloro-4-fluorophenyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2S)-2-(3-chloro-4-fluorophenyl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2S)-2-(3-chloro-4-fluoro-phenyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C13H16ClFN3+ MolecularWeight: 268.737643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClFN3/c1-13(9-16,18-6-4-17-5-7-18)10-2-3-12(15)11(14)8-10/h2-3,8,17H,4-7H2,1H3/p+1/t13-/m1/s1