N'-[2-methyl-1-(phenylmethyl)quinolin-1-ium-4-yl]-N-(2-methylquinolin-4-yl)dodecane-1,12-diamine bromide

Systemtic Name: N'-[2-methyl-1-(phenylmethyl)quinolin-1-ium-4-yl]-N-(2-methylquinolin-4-yl)dodecane-1,12-diamine bromide Openeye Name: N'-(1-benzyl-2-methyl-quinolin-1-ium-4-yl)-N-(2-methyl-4-quinolyl)dodecane-1,12-diamine bromide CAS Name: N'-[2-methyl-1-(phenylmethyl)-4-quinolin-1-iumyl]-N-(2-methyl-4-quinolinyl)dodecane-1,12-diamine bromide IUPAC Name: N'-(1-benzyl-2-methylquinolin-1-ium-4-yl)-N-(2-methylquinolin-4-yl)dodecane-1,12-diamine bromide Traditional Name: (1-benzyl-2-methyl-quinolin-1-ium-4-yl)-[12-[(2-methyl-4-quinolyl)amino]dodecyl]amine bromide Formula: C39H49BrN4 MolecularWeight: 653.73716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CC5=CC=CC=C5)C.[Br-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CC5=CC=CC=C5)C.[Br-]

InChI

InChI=1S/C39H48N4.BrH/c1-31-28-37(34-22-14-16-24-36(34)42-31)40-26-18-9-7-5-3-4-6-8-10-19-27-41-38-29-32(2)43(30-33-20-12-11-13-21-33)39-25-17-15-23-35(38)39;/h11-17,20-25,28-29H,3-10,18-19,26-27,30H2,1-2H3,(H,40,42);1H