2-[(2S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]pyrrolidin-2-yl]-1,3-benzothiazole Formula: C17H15F3N3S+ MolecularWeight: 350.38131

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](N(C1)C2=[NH+]C=C(C=C2)C(F)(F)F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H14F3N3S/c18-17(19,20)11-7-8-15(21-10-11)23-9-3-5-13(23)16-22-12-4-1-2-6-14(12)24-16/h1-2,4,6-8,10,13H,3,5,9H2/p+1/t13-/m0/s1