2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[1-(octadecanoylamino)ethyl]azanium

Systemtic Name: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[1-(octadecanoylamino)ethyl]azanium Openeye Name: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[1-(octadecanoylamino)ethyl]ammonium CAS Name: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[1-(1-oxooctadecylamino)ethyl]ammonium IUPAC Name: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-[1-(octadecanoylamino)ethyl]azanium Traditional Name: 2-cyanoethyl-[2-(2-cyanoethylamino)ethyl]-ethyl-(1-stearamidoethyl)ammonium Formula: C30H58N5O+ MolecularWeight: 504.81442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(C)[N+](CC)(CCC#N)CCNCCC#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(C)[N+](CC)(CCC#N)CCNCCC#N

InChI

InChI=1S/C30H57N5O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-30(36)34-29(3)35(5-2,27-21-24-32)28-26-33-25-20-23-31/h29,33H,4-22,25-28H2,1-3H3/p+1