methyl 2-methyl-5-piperazin-4-ium-1-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate

Systemtic Name: methyl 2-methyl-5-piperazin-4-ium-1-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate Openeye Name: methyl 2-methyl-5-piperazin-4-ium-1-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate CAS Name: 2-methyl-5-(1-piperazin-4-iumyl)-7-(trifluoromethyl)-3-thieno[3,2-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-piperazin-4-ium-1-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate Traditional Name: 2-methyl-5-piperazin-4-ium-1-yl-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylic acid methyl ester Formula: C15H17F3N3O2S+ MolecularWeight: 360.37459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C(=CC(=N2)N3CC[NH2+]CC3)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(S1)C(=CC(=N2)N3CC[NH2+]CC3)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C15H16F3N3O2S/c1-8-11(14(22)23-2)12-13(24-8)9(15(16,17)18)7-10(20-12)21-5-3-19-4-6-21/h7,19H,3-6H2,1-2H3/p+1