dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-[[[(E)-octadec-9-enoyl]amino]methyl]azanium

Systemtic Name: dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-[[[(E)-octadec-9-enoyl]amino]methyl]azanium Openeye Name: (2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-dimethyl-[[[(E)-octadec-9-enoyl]amino]methyl]ammonium CAS Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[[[(E)-1-oxooctadec-9-enyl]amino]methyl]ammonium IUPAC Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[[[(E)-octadec-9-enoyl]amino]methyl]azanium Traditional Name: (2-hydroxy-2-keto-1,1-dimethyl-ethyl)-dimethyl-[[[(E)-octadec-9-enoyl]amino]methyl]ammonium Formula: C25H49N2O3+ MolecularWeight: 425.66816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H48N2O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(28)26-22-27(4,5)25(2,3)24(29)30/h13-14H,6-12,15-22H2,1-5H3,(H-,26,28,29,30)/p+1/b14-13+