3-ethyl-5-methyl-2-propan-2-yl-3-(1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-6-amine

Systemtic Name: 3-ethyl-5-methyl-2-propan-2-yl-3-(1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-6-amine Openeye Name: 3-ethyl-2-isopropyl-5-methyl-3-thiazol-5-yl-2-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-6-amine CAS Name: 3-ethyl-5-methyl-2-propan-2-yl-3-(5-thiazolyl)-2-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-6-amine IUPAC Name: 3-ethyl-5-methyl-2-propan-2-yl-3-(1,3-thiazol-5-yl)-2-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-2-ium-6-amine Traditional Name: [3-ethyl-2-isopropyl-5-methyl-3-thiazol-5-yl-2-[4-(trifluoromethyl)phenyl]indoxazen-2-ium-6-yl]amine Formula: C23H25F3N3OS+ MolecularWeight: 448.52431

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=CC(=C(C=C2O[N+]1(C3=CC=C(C=C3)C(F)(F)F)C(C)C)N)C)C4=CN=CS4

Isomeric SMILES

CCC1(C2=CC(=C(C=C2O[N+]1(C3=CC=C(C=C3)C(F)(F)F)C(C)C)N)C)C4=CN=CS4

InChI

InChI=1S/C23H25F3N3OS/c1-5-22(21-12-28-13-31-21)18-10-15(4)19(27)11-20(18)30-29(22,14(2)3)17-8-6-16(7-9-17)23(24,25)26/h6-14H,5,27H2,1-4H3/q+1