trimethyl-[3-[(2-methyl-1-oxidanyl-1-oxidanylidene-tetradecan-2-yl)amino]-2-oxidanyl-propyl]azanium

Systemtic Name: trimethyl-[3-[(2-methyl-1-oxidanyl-1-oxidanylidene-tetradecan-2-yl)amino]-2-oxidanyl-propyl]azanium Openeye Name: [3-[(1-carboxy-1-methyl-tridecyl)amino]-2-hydroxy-propyl]-trimethyl-ammonium CAS Name: [2-hydroxy-3-[(1-hydroxy-2-methyl-1-oxotetradecan-2-yl)amino]propyl]-trimethylammonium IUPAC Name: [2-hydroxy-3-[(1-hydroxy-2-methyl-1-oxotetradecan-2-yl)amino]propyl]-trimethylazanium Traditional Name: [3-[(1-carboxy-1-methyl-tridecyl)amino]-2-hydroxy-propyl]-trimethyl-ammonium Formula: C21H45N2O3+ MolecularWeight: 373.5936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)(C(=O)O)NCC(C[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC(C)(C(=O)O)NCC(C[N+](C)(C)C)O

InChI

InChI=1S/C21H44N2O3/c1-6-7-8-9-10-11-12-13-14-15-16-21(2,20(25)26)22-17-19(24)18-23(3,4)5/h19,22,24H,6-18H2,1-5H3/p+1