1-[[(E)-docos-13-enoyl]amino]butyl-dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)azanium

Systemtic Name: 1-[[(E)-docos-13-enoyl]amino]butyl-dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)azanium Openeye Name: 1-[[(E)-docos-13-enoyl]amino]butyl-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-dimethyl-ammonium CAS Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[1-[[(E)-1-oxodocos-13-enyl]amino]butyl]ammonium IUPAC Name: 1-[[(E)-docos-13-enoyl]amino]butyl-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethylazanium Traditional Name: 1-[[(E)-docos-13-enoyl]amino]butyl-(2-hydroxy-2-keto-1,1-dimethyl-ethyl)-dimethyl-ammonium Formula: C32H63N2O3+ MolecularWeight: 523.85422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H62N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30(35)33-29(27-8-2)34(5,6)32(3,4)31(36)37/h15-16,29H,7-14,17-28H2,1-6H3,(H-,33,35,36,37)/p+1/b16-15+