ethyl-[3-(2-ethyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]-dimethyl-azanium dibromide

Systemtic Name: ethyl-[3-(2-ethyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]-dimethyl-azanium dibromide Openeye Name: ethyl-[3-(2-ethyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]-dimethyl-ammonium dibromide CAS Name: ethyl-[3-(2-ethyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]-dimethylammonium dibromide IUPAC Name: ethyl-[3-(2-ethyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]-dimethylazanium dibromide Traditional Name: ethyl-[3-(2-ethyl-1,3-dihydrobenzo[de]isoquinolin-2-ium-2-yl)propyl]-dimethyl-ammonium dibromide Formula: C21H32Br2N2 MolecularWeight: 472.30018

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC2=CC=CC3=C2C(=CC=C3)C1)CCC[N+](C)(C)CC.[Br-].[Br-]

Isomeric SMILES

CC[N+]1(CC2=CC=CC3=C2C(=CC=C3)C1)CCC[N+](C)(C)CC.[Br-].[Br-]

InChI

InChI=1S/C21H32N2.2BrH/c1-5-22(3,4)14-9-15-23(6-2)16-19-12-7-10-18-11-8-13-20(17-23)21(18)19;;/h7-8,10-13H,5-6,9,14-17H2,1-4H3;2*1H/q+2;;/p-2