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

Systemtic Name: dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-[2-[[(E)-octadec-9-enoyl]amino]butyl]azanium Openeye Name: (2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-dimethyl-[2-[[(E)-octadec-9-enoyl]amino]butyl]ammonium CAS Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[2-[[(E)-1-oxooctadec-9-enyl]amino]butyl]ammonium IUPAC Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[2-[[(E)-octadec-9-enoyl]amino]butyl]azanium Traditional Name: (2-hydroxy-2-keto-1,1-dimethyl-ethyl)-dimethyl-[2-[[(E)-octadec-9-enoyl]amino]butyl]ammonium Formula: C28H55N2O3+ MolecularWeight: 467.7479

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H54N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(31)29-25(8-2)24-30(5,6)28(3,4)27(32)33/h15-16,25H,7-14,17-24H2,1-6H3,(H-,29,31,32,33)/p+1/b16-15+