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

Systemtic Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Openeye Name: 1-[(3-methylbenzothiophen-2-yl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-[(3-methyl-1-benzothiophen-2-yl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Traditional Name: 1-[(3-methylbenzothiophen-2-yl)methyl]-4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium Formula: C20H22F3N3S+2 MolecularWeight: 393.46899

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C[NH+]3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H20F3N3S/c1-14-16-4-2-3-5-17(16)27-18(14)13-25-8-10-26(11-9-25)19-7-6-15(12-24-19)20(21,22)23/h2-7,12H,8-11,13H2,1H3/p+2