2-[1-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1-(phenylmethyl)indol-1-ium-3-yl]ethanoate hydrochloride

Systemtic Name: 2-[1-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1-(phenylmethyl)indol-1-ium-3-yl]ethanoate hydrochloride Openeye Name: 2-[1-benzyl-1-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]indol-1-ium-3-yl]acetate hydrochloride CAS Name: 2-[1-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1-(phenylmethyl)-3-indol-1-iumyl]acetate hydrochloride IUPAC Name: 2-[1-benzyl-1-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]indol-1-ium-3-yl]acetate hydrochloride Traditional Name: 2-[1-benzyl-1-[methyl-[3-(trifluoromethyl)benzyl]amino]indol-1-ium-3-yl]acetate hydrochloride Formula: C26H24ClF3N2O2 MolecularWeight: 488.92917

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)C(F)(F)F)[N+]2(C=C(C3=CC=CC=C32)CC(=O)[O-])CC4=CC=CC=C4.Cl

Isomeric SMILES

CN(CC1=CC(=CC=C1)C(F)(F)F)[N+]2(C=C(C3=CC=CC=C32)CC(=O)[O-])CC4=CC=CC=C4.Cl

InChI

InChI=1S/C26H23F3N2O2.ClH/c1-30(16-20-10-7-11-22(14-20)26(27,28)29)31(17-19-8-3-2-4-9-19)18-21(15-25(32)33)23-12-5-6-13-24(23)31;/h2-14,18H,15-17H2,1H3;1H