9-ethyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]carbazole

Systemtic Name: 9-ethyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]carbazole Openeye Name: 9-ethyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]carbazole CAS Name: 9-ethyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperazin-1-iumyl]methyl]carbazole IUPAC Name: 9-ethyl-3-[[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]carbazole Traditional Name: 9-ethyl-3-[[4-[2-(trifluoromethyl)benzyl]piperazin-1-ium-1-yl]methyl]carbazole Formula: C27H29F3N3+ MolecularWeight: 452.53447

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)CC4=CC=CC=C4C(F)(F)F)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C[NH+]3CCN(CC3)CC4=CC=CC=C4C(F)(F)F)C5=CC=CC=C51

InChI

InChI=1S/C27H28F3N3/c1-2-33-25-10-6-4-8-22(25)23-17-20(11-12-26(23)33)18-31-13-15-32(16-14-31)19-21-7-3-5-9-24(21)27(28,29)30/h3-12,17H,2,13-16,18-19H2,1H3/p+1