N-(thiophen-2-ylmethyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(thiophen-2-ylmethyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-thienylmethyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(thiophen-2-ylmethyl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(thiophen-2-ylmethyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-thenyl)-2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetamide Formula: C19H21F3N5OS+ MolecularWeight: 424.46315

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)CC(=O)NCC4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)CC(=O)NCC4=CC=CS4

InChI

InChI=1S/C19H20F3N5OS/c20-19(21,22)13-3-4-17-16(10-13)24-25-27(17)14-5-7-26(8-6-14)12-18(28)23-11-15-2-1-9-29-15/h1-4,9-10,14H,5-8,11-12H2,(H,23,28)/p+1