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

Systemtic Name: 2-methyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 2-methyl-3-[[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 2-methyl-3-[[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C20H22F3N4+ MolecularWeight: 375.41069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H21F3N4/c1-14-17(16-4-2-3-5-18(16)25-14)13-26-8-10-27(11-9-26)19-7-6-15(12-24-19)20(21,22)23/h2-7,12,25H,8-11,13H2,1H3/p+1