trimethyl-[5-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentyl]azanium dibromide

Systemtic Name: trimethyl-[5-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentyl]azanium dibromide Openeye Name: trimethyl-[5-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentyl]ammonium dibromide CAS Name: trimethyl-[5-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentyl]ammonium dibromide IUPAC Name: trimethyl-[5-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentyl]azanium dibromide Traditional Name: trimethyl-[5-(1-methyl-9H-$b-carbolin-2-ium-2-yl)pentyl]ammonium dibromide Formula: C20H29Br2N3 MolecularWeight: 471.27236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCCCC[N+](C)(C)C.[Br-].[Br-]

Isomeric SMILES

CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCCCC[N+](C)(C)C.[Br-].[Br-]

InChI

InChI=1S/C20H28N3.2BrH/c1-16-20-18(17-10-6-7-11-19(17)21-20)12-14-22(16)13-8-5-9-15-23(2,3)4;;/h6-7,10-12,14H,5,8-9,13,15H2,1-4H3;2*1H/q+1;;/p-1