1-[10-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine tetraethanoate

Systemtic Name: 1-[10-(4-azanyl-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine tetraethanoate Openeye Name: 1-[10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-amine tetraacetate CAS Name: 1-[10-(4-amino-2-methyl-1-quinolin-1-iumyl)decyl]-2-methyl-4-quinolin-1-iumamine tetraacetate IUPAC Name: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine tetraacetate Traditional Name: [1-[10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl]-2-methyl-quinolin-1-ium-4-yl]amine tetraacetate Formula: C68H92N8O8 MolecularWeight: 1149.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]

InChI

InChI=1S/2C30H38N4.4C2H4O2/c2*1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;4*1-2(3)4/h2*9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;4*1H3,(H,3,4)