(2-azanylcycloheptyl)methyl-methyl-bis[1-(octadecanoylamino)butyl]azanium

Systemtic Name: (2-azanylcycloheptyl)methyl-methyl-bis[1-(octadecanoylamino)butyl]azanium Openeye Name: (2-aminocycloheptyl)methyl-methyl-bis[1-(octadecanoylamino)butyl]ammonium CAS Name: (2-aminocycloheptyl)methyl-methyl-bis[1-(1-oxooctadecylamino)butyl]ammonium IUPAC Name: (2-aminocycloheptyl)methyl-methyl-bis[1-(octadecanoylamino)butyl]azanium Traditional Name: (2-aminocycloheptyl)methyl-methyl-bis(1-stearamidobutyl)ammonium Formula: C53H107N4O2+ MolecularWeight: 832.44228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)[N+](C)(CC1CCCCCC1N)C(CCC)NC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)[N+](C)(CC1CCCCCC1N)C(CCC)NC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C53H106N4O2/c1-6-10-12-14-16-18-20-22-24-26-28-30-32-34-39-45-52(58)55-50(41-8-3)57(5,47-48-43-37-36-38-44-49(48)54)51(42-9-4)56-53(59)46-40-35-33-31-29-27-25-23-21-19-17-15-13-11-7-2/h48-51H,6-47,54H2,1-5H3,(H-,55,56,58,59)/p+1