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

Systemtic Name: N,N'-bis[2-methyl-1-(phenylmethyl)quinolin-1-ium-4-yl]dodecane-1,12-diamine Openeye Name: N,N'-bis(1-benzyl-2-methyl-quinolin-1-ium-4-yl)dodecane-1,12-diamine CAS Name: N,N'-bis[2-methyl-1-(phenylmethyl)-4-quinolin-1-iumyl]dodecane-1,12-diamine IUPAC Name: N,N'-bis(1-benzyl-2-methylquinolin-1-ium-4-yl)dodecane-1,12-diamine Traditional Name: (1-benzyl-2-methyl-quinolin-1-ium-4-yl)-[12-[(1-benzyl-2-methyl-quinolin-1-ium-4-yl)amino]dodecyl]amine Formula: C46H56N4+2 MolecularWeight: 664.96364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=C1)NCCCCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CC5=CC=CC=C5)C)CC6=CC=CC=C6

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=C1)NCCCCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CC5=CC=CC=C5)C)CC6=CC=CC=C6

InChI

InChI=1S/C46H54N4/c1-37-33-43(41-27-17-19-29-45(41)49(37)35-39-23-13-11-14-24-39)47-31-21-9-7-5-3-4-6-8-10-22-32-48-44-34-38(2)50(36-40-25-15-12-16-26-40)46-30-20-18-28-42(44)46/h11-20,23-30,33-34H,3-10,21-22,31-32,35-36H2,1-2H3/p+2