3-(2-ethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethyl-azanium dibromide

Systemtic Name: 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethyl-azanium dibromide Openeye Name: 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethyl-ammonium dibromide CAS Name: 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethylammonium dibromide IUPAC Name: 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethylazanium dibromide Traditional Name: 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl)propyl-trimethyl-ammonium dibromide Formula: C17H30Br2N2 MolecularWeight: 422.2415

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC2=CC=CC=C2C1)CCC[N+](C)(C)C.[Br-].[Br-]

Isomeric SMILES

CC[N+]1(CCC2=CC=CC=C2C1)CCC[N+](C)(C)C.[Br-].[Br-]

InChI

InChI=1S/C17H30N2.2BrH/c1-5-19(13-8-12-18(2,3)4)14-11-16-9-6-7-10-17(16)15-19;;/h6-7,9-10H,5,8,11-15H2,1-4H3;2*1H/q+2;;/p-2