trimethyl-[4-[2-(methylcarbamoyloxy)-3-(octadecoxycarbonylamino)propoxy]-4-oxidanylidene-butyl]azanium

Systemtic Name: trimethyl-[4-[2-(methylcarbamoyloxy)-3-(octadecoxycarbonylamino)propoxy]-4-oxidanylidene-butyl]azanium Openeye Name: trimethyl-[4-[2-(methylcarbamoyloxy)-3-(octadecoxycarbonylamino)propoxy]-4-oxo-butyl]ammonium CAS Name: trimethyl-[4-[2-(methylcarbamoyloxy)-3-[[octadecoxy(oxo)methyl]amino]propoxy]-4-oxobutyl]ammonium IUPAC Name: trimethyl-[4-[2-(methylcarbamoyloxy)-3-(octadecoxycarbonylamino)propoxy]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[2-(methylcarbamoyloxy)-3-(stearyloxycarbonylamino)propoxy]butyl]-trimethyl-ammonium Formula: C31H62N3O6+ MolecularWeight: 572.84048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)NCC(COC(=O)CCC[N+](C)(C)C)OC(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)NCC(COC(=O)CCC[N+](C)(C)C)OC(=O)NC

InChI

InChI=1S/C31H61N3O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-38-31(37)33-26-28(40-30(36)32-2)27-39-29(35)23-22-24-34(3,4)5/h28H,6-27H2,1-5H3,(H-,32,33,36,37)/p+1