2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]azanium

Systemtic Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]azanium Openeye Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]ammonium CAS Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-[[(Z)-1-oxooctadec-9-enyl]amino]ethyl]ammonium IUPAC Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]azanium Traditional Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]ammonium Formula: C27H52N3O2+ MolecularWeight: 450.72068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCO

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCO

InChI

InChI=1S/C27H51N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-27(32)29-22-24-30(4-2,25-26-31)23-19-21-28/h11-12,31H,3-10,13-20,22-26H2,1-2H3/p+1/b12-11-