1-methyl-1-phenyl-2-[phenyl(trifluoromethyloxy)methyl]-3-(1,3-thiazol-5-yl)piperidin-1-ium-2-amine

Systemtic Name: 1-methyl-1-phenyl-2-[phenyl(trifluoromethyloxy)methyl]-3-(1,3-thiazol-5-yl)piperidin-1-ium-2-amine Openeye Name: 1-methyl-1-phenyl-2-[phenyl(trifluoromethoxy)methyl]-3-thiazol-5-yl-piperidin-1-ium-2-amine CAS Name: 1-methyl-1-phenyl-2-[phenyl(trifluoromethoxy)methyl]-3-(5-thiazolyl)-2-piperidin-1-iumamine IUPAC Name: 1-methyl-1-phenyl-2-[phenyl(trifluoromethoxy)methyl]-3-(1,3-thiazol-5-yl)piperidin-1-ium-2-amine Traditional Name: [1-methyl-1-phenyl-2-[phenyl(trifluoromethoxy)methyl]-3-thiazol-5-yl-piperidin-1-ium-2-yl]amine Formula: C23H25F3N3OS+ MolecularWeight: 448.52431

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC(C1(C(C2=CC=CC=C2)OC(F)(F)F)N)C3=CN=CS3)C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCC(C1(C(C2=CC=CC=C2)OC(F)(F)F)N)C3=CN=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H25F3N3OS/c1-29(18-11-6-3-7-12-18)14-8-13-19(20-15-28-16-31-20)22(29,27)21(30-23(24,25)26)17-9-4-2-5-10-17/h2-7,9-12,15-16,19,21H,8,13-14,27H2,1H3/q+1