3-[[4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[4-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C19H21F3N4+2 MolecularWeight: 362.39205

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=[NH+]C=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=[NH+]C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H19F3N4/c20-19(21,22)15-5-6-23-18(11-15)26-9-7-25(8-10-26)13-14-12-24-17-4-2-1-3-16(14)17/h1-6,11-12,24H,7-10,13H2/p+2