N,N'-bis[2-methyl-1-(phenylmethyl)quinolin-1-ium-4-yl]decane-1,10-diamine dibromide

Systemtic Name: N,N'-bis[2-methyl-1-(phenylmethyl)quinolin-1-ium-4-yl]decane-1,10-diamine dibromide Openeye Name: N,N'-bis(1-benzyl-2-methyl-quinolin-1-ium-4-yl)decane-1,10-diamine dibromide CAS Name: N,N'-bis[2-methyl-1-(phenylmethyl)-4-quinolin-1-iumyl]decane-1,10-diamine dibromide IUPAC Name: N,N'-bis(1-benzyl-2-methylquinolin-1-ium-4-yl)decane-1,10-diamine dibromide Traditional Name: (1-benzyl-2-methyl-quinolin-1-ium-4-yl)-[10-[(1-benzyl-2-methyl-quinolin-1-ium-4-yl)amino]decyl]amine dibromide Formula: C44H52Br2N4 MolecularWeight: 796.71848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=C1)NCCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CC5=CC=CC=C5)C)CC6=CC=CC=C6.[Br-].[Br-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=C1)NCCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CC5=CC=CC=C5)C)CC6=CC=CC=C6.[Br-].[Br-]

InChI

InChI=1S/C44H50N4.2BrH/c1-35-31-41(39-25-15-17-27-43(39)47(35)33-37-21-11-9-12-22-37)45-29-19-7-5-3-4-6-8-20-30-46-42-32-36(2)48(34-38-23-13-10-14-24-38)44-28-18-16-26-40(42)44;;/h9-18,21-28,31-32H,3-8,19-20,29-30,33-34H2,1-2H3;2*1H