dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-[(E)-nonadec-10-enyl]azanium

Systemtic Name: dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-[(E)-nonadec-10-enyl]azanium Openeye Name: (2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-dimethyl-[(E)-nonadec-10-enyl]ammonium CAS Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[(E)-nonadec-10-enyl]ammonium IUPAC Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[(E)-nonadec-10-enyl]azanium Traditional Name: (2-hydroxy-2-keto-1,1-dimethyl-ethyl)-dimethyl-[(E)-nonadec-10-enyl]ammonium Formula: C25H50NO2+ MolecularWeight: 396.67

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC[N+](C)(C)C(C)(C)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC[N+](C)(C)C(C)(C)C(=O)O

InChI

InChI=1S/C25H49NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(4,5)25(2,3)24(27)28/h13-14H,6-12,15-23H2,1-5H3/p+1/b14-13+