(3-methyl-1-benzothiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone

Systemtic Name: (3-methyl-1-benzothiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Openeye Name: (3-methylbenzothiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone CAS Name: (3-methyl-1-benzothiophen-2-yl)-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methanone IUPAC Name: (3-methyl-1-benzothiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]methanone Traditional Name: (3-methylbenzothiophen-2-yl)-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]methanone Formula: C20H19F3N3OS+ MolecularWeight: 406.44457

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N3OS/c1-13-15-4-2-3-5-16(15)28-18(13)19(27)26-10-8-25(9-11-26)17-7-6-14(12-24-17)20(21,22)23/h2-7,12H,8-11H2,1H3/p+1