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

Systemtic Name: N'-[2-methyl-1-(phenylmethyl)quinolin-1-ium-4-yl]-N-(2-methylquinolin-4-yl)decane-1,10-diamine bromide Openeye Name: N'-(1-benzyl-2-methyl-quinolin-1-ium-4-yl)-N-(2-methyl-4-quinolyl)decane-1,10-diamine bromide CAS Name: N'-[2-methyl-1-(phenylmethyl)-4-quinolin-1-iumyl]-N-(2-methyl-4-quinolinyl)decane-1,10-diamine bromide IUPAC Name: N'-(1-benzyl-2-methylquinolin-1-ium-4-yl)-N-(2-methylquinolin-4-yl)decane-1,10-diamine bromide Traditional Name: (1-benzyl-2-methyl-quinolin-1-ium-4-yl)-[10-[(2-methyl-4-quinolyl)amino]decyl]amine bromide Formula: C37H45BrN4 MolecularWeight: 625.684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CC5=CC=CC=C5)C.[Br-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CC5=CC=CC=C5)C.[Br-]

InChI

InChI=1S/C37H44N4.BrH/c1-29-26-35(32-20-12-14-22-34(32)40-29)38-24-16-7-5-3-4-6-8-17-25-39-36-27-30(2)41(28-31-18-10-9-11-19-31)37-23-15-13-21-33(36)37;/h9-15,18-23,26-27H,3-8,16-17,24-25,28H2,1-2H3,(H,38,40);1H