N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide

Systemtic Name: N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Openeye Name: N-(benzothiophen-3-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide CAS Name: N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: N-(1-benzothiophen-3-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Traditional Name: N-(benzothiophen-3-yl)-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carboxamide Formula: C19H18F3N4OS+ MolecularWeight: 407.43263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)NC3=CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)NC3=CSC4=CC=CC=C43

InChI

InChI=1S/C19H17F3N4OS/c20-19(21,22)13-5-6-17(23-11-13)25-7-9-26(10-8-25)18(27)24-15-12-28-16-4-2-1-3-14(15)16/h1-6,11-12H,7-10H2,(H,24,27)/p+1