2-hydroxyethyl-methyl-bis[2-(octadec-9-enoylamino)ethyl]azanium; methyl sulfate

Systemtic Name: 2-hydroxyethyl-methyl-bis[2-(octadec-9-enoylamino)ethyl]azanium; methyl sulfate Openeye Name: 2-hydroxyethyl-methyl-bis[2-(octadec-9-enoylamino)ethyl]ammonium; methyl sulfate CAS Name: 2-hydroxyethyl-methyl-bis[2-(1-oxooctadec-9-enylamino)ethyl]ammonium; methyl sulfate IUPAC Name: 2-hydroxyethyl-methyl-bis[2-(octadec-9-enoylamino)ethyl]azanium; methyl sulfate Traditional Name: 2-hydroxyethyl-methyl-bis[2-(octadec-9-enoylamino)ethyl]ammonium; methyl sulfate Formula: C44H87N3O7S MolecularWeight: 802.24248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](C)(CCNC(=O)CCCCCCCC=CCCCCCCCC)CCO.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCC=CCCCCCCCC(=O)NCC[N+](C)(CCNC(=O)CCCCCCCC=CCCCCCCCC)CCO.COS(=O)(=O)[O-]

InChI

InChI=1S/C43H83N3O3.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(48)44-36-38-46(3,40-41-47)39-37-45-43(49)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,47H,4-17,22-41H2,1-3H3,(H-,44,45,48,49);1H3,(H,2,3,4)