N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-(trifluoromethyl)pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-(trifluoromethyl)pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-(trifluoromethyl)pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-(trifluoromethyl)-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-(trifluoromethyl)pyridin-1-ium-2-amine Traditional Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-[5-(trifluoromethyl)pyridin-1-ium-2-yl]amine Formula: C16H15F3N3S+ MolecularWeight: 338.37061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H14F3N3S/c1-10(15-21-12-5-3-4-6-13(12)23-15)22(2)14-8-7-11(9-20-14)16(17,18)19/h3-10H,1-2H3/p+1/t10-/m1/s1