trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium dibromide

Systemtic Name: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium dibromide Openeye Name: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]ammonium dibromide CAS Name: trimethyl-[3-[4-[2-(1-methyl-3-indolyl)ethyl]-1-pyridin-1-iumyl]propyl]ammonium dibromide IUPAC Name: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium dibromide Traditional Name: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]ammonium dibromide Formula: C22H31Br2N3 MolecularWeight: 497.30964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CCC3=CC=[N+](C=C3)CCC[N+](C)(C)C.[Br-].[Br-]

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CCC3=CC=[N+](C=C3)CCC[N+](C)(C)C.[Br-].[Br-]

InChI

InChI=1S/C22H31N3.2BrH/c1-23-18-20(21-8-5-6-9-22(21)23)11-10-19-12-15-24(16-13-19)14-7-17-25(2,3)4;;/h5-6,8-9,12-13,15-16,18H,7,10-11,14,17H2,1-4H3;2*1H/q+2;;/p-2