1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(3-methyl-2-thienyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(3-methyl-2-thiophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(3-methylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-[(3-methyl-2-thienyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C17H20F3N2S+ MolecularWeight: 341.41431

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N2S/c1-13-5-10-23-16(13)12-21-6-8-22(9-7-21)15-4-2-3-14(11-15)17(18,19)20/h2-5,10-11H,6-9,12H2,1H3/p+1