dimethyl-[2-(16-methylheptadecanoylamino)butyl]-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)azanium

Systemtic Name: dimethyl-[2-(16-methylheptadecanoylamino)butyl]-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)azanium Openeye Name: (2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-dimethyl-[2-(16-methylheptadecanoylamino)butyl]ammonium CAS Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[2-[(16-methyl-1-oxoheptadecyl)amino]butyl]ammonium IUPAC Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[2-(16-methylheptadecanoylamino)butyl]azanium Traditional Name: (2-hydroxy-2-keto-1,1-dimethyl-ethyl)-dimethyl-[2-(16-methylheptadecanoylamino)butyl]ammonium Formula: C28H57N2O3+ MolecularWeight: 469.76378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[N+](C)(C)C(C)(C)C(=O)O)NC(=O)CCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CCC(C[N+](C)(C)C(C)(C)C(=O)O)NC(=O)CCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C28H56N2O3/c1-8-25(23-30(6,7)28(4,5)27(32)33)29-26(31)22-20-18-16-14-12-10-9-11-13-15-17-19-21-24(2)3/h24-25H,8-23H2,1-7H3,(H-,29,31,32,33)/p+1