2-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl]-1,3-benzothiazole CAS Name: 2-[1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-piperidyl]-1,3-benzothiazole Formula: C18H17F3N3S+ MolecularWeight: 364.40789

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C18H16F3N3S/c19-18(20,21)13-5-6-16(22-11-13)24-9-7-12(8-10-24)17-23-14-3-1-2-4-15(14)25-17/h1-6,11-12H,7-10H2/p+1