(3S)-4-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-3-oxidanyl-butanenitrile

Systemtic Name: (3S)-4-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-3-oxidanyl-butanenitrile Openeye Name: (3S)-4-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-3-hydroxy-butanenitrile CAS Name: (3S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]-3-hydroxybutanenitrile IUPAC Name: (3S)-4-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-3-hydroxybutanenitrile Traditional Name: (3S)-4-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]-3-hydroxy-butyronitrile Formula: C10H10ClF3N3O+ MolecularWeight: 280.65411

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[NH+]C(=C1Cl)NCC(CC#N)O)C(F)(F)F

Isomeric SMILES

C1=C(C=[NH+]C(=C1Cl)NC[C@H](CC#N)O)C(F)(F)F

InChI

InChI=1S/C10H9ClF3N3O/c11-8-3-6(10(12,13)14)4-16-9(8)17-5-7(18)1-2-15/h3-4,7,18H,1,5H2,(H,16,17)/p+1/t7-/m0/s1