(3-heptadec-13-ynoyloxy-2-octadec-14-ynoyloxy-propyl)-trimethyl-azanium; methyl sulfate

Systemtic Name: (3-heptadec-13-ynoyloxy-2-octadec-14-ynoyloxy-propyl)-trimethyl-azanium; methyl sulfate Openeye Name: (3-heptadec-13-ynoyloxy-2-octadec-14-ynoyloxy-propyl)-trimethyl-ammonium; methyl sulfate CAS Name: methyl sulfate; trimethyl-[3-(1-oxoheptadec-13-ynoxy)-2-(1-oxooctadec-14-ynoxy)propyl]ammonium IUPAC Name: (3-heptadec-13-ynoyloxy-2-octadec-14-ynoyloxypropyl)-trimethylazanium; methyl sulfate Traditional Name: (3-heptadec-13-ynoyloxy-2-octadec-14-ynoyloxy-propyl)-trimethyl-ammonium; methyl sulfate Formula: C42H77NO8S MolecularWeight: 756.12768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCCCCCCCCCCCC(=O)OC(C[N+](C)(C)C)COC(=O)CCCCCCCCCCCC#CCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCC#CCCCCCCCCCCCCC(=O)OC(C[N+](C)(C)C)COC(=O)CCCCCCCCCCCC#CCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C41H74NO4.CH4O4S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42(3,4)5)38-45-40(43)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;1-5-6(2,3)4/h39H,6-9,14-38H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1