(2-azanylcyclononyl)methyl-bis[1-(dodecanoylamino)hexyl]-methyl-azanium

Systemtic Name: (2-azanylcyclononyl)methyl-bis[1-(dodecanoylamino)hexyl]-methyl-azanium Openeye Name: (2-aminocyclononyl)methyl-bis[1-(dodecanoylamino)hexyl]-methyl-ammonium CAS Name: (2-aminocyclononyl)methyl-methyl-bis[1-(1-oxododecylamino)hexyl]ammonium IUPAC Name: (2-aminocyclononyl)methyl-bis[1-(dodecanoylamino)hexyl]-methylazanium Traditional Name: (2-aminocyclononyl)methyl-bis[1-(lauroylamino)hexyl]-methyl-ammonium Formula: C47H95N4O2+ MolecularWeight: 748.2828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCCCC)[N+](C)(CC1CCCCCCCC1N)C(CCCCC)NC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CCCCC)[N+](C)(CC1CCCCCCCC1N)C(CCCCC)NC(=O)CCCCCCCCCCC

InChI

InChI=1S/C47H94N4O2/c1-6-10-14-16-18-20-22-27-33-39-46(52)49-44(37-29-12-8-3)51(5,41-42-35-31-25-24-26-32-36-43(42)48)45(38-30-13-9-4)50-47(53)40-34-28-23-21-19-17-15-11-7-2/h42-45H,6-41,48H2,1-5H3,(H-,49,50,52,53)/p+1