2-[(3-hexadecoxy-2-methoxy-propoxy)carbonylcarbamoylamino]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[(3-hexadecoxy-2-methoxy-propoxy)carbonylcarbamoylamino]ethyl-trimethyl-azanium iodide Openeye Name: 2-[(3-hexadecoxy-2-methoxy-propoxy)carbonylcarbamoylamino]ethyl-trimethyl-ammonium iodide CAS Name: 2-[[[[(3-hexadecoxy-2-methoxypropoxy)-oxomethyl]amino]-oxomethyl]amino]ethyl-trimethylammonium iodide IUPAC Name: 2-[(3-hexadecoxy-2-methoxypropoxy)carbonylcarbamoylamino]ethyl-trimethylazanium iodide Traditional Name: 2-[(3-cetyloxy-2-methoxy-propoxy)carbonylcarbamoylamino]ethyl-trimethyl-ammonium iodide Formula: C27H56IN3O5 MolecularWeight: 629.65511

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)NC(=O)NCC[N+](C)(C)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)NC(=O)NCC[N+](C)(C)C)OC.[I-]

InChI

InChI=1S/C27H55N3O5.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-23-25(33-5)24-35-27(32)29-26(31)28-20-21-30(2,3)4;/h25H,6-24H2,1-5H3,(H-,28,29,31,32);1H