trimethyl-[3-(16-methylheptadecanoylamino)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: trimethyl-[3-(16-methylheptadecanoylamino)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [1-carboxy-2-(16-methylheptadecanoylamino)butyl]-trimethyl-ammonium CAS Name: [1-hydroxy-3-[(16-methyl-1-oxoheptadecyl)amino]-1-oxopentan-2-yl]-trimethylammonium IUPAC Name: [1-hydroxy-3-(16-methylheptadecanoylamino)-1-oxopentan-2-yl]-trimethylazanium Traditional Name: [1-carboxy-2-(16-methylheptadecanoylamino)butyl]-trimethyl-ammonium Formula: C26H53N2O3+ MolecularWeight: 441.71062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H52N2O3/c1-7-23(25(26(30)31)28(4,5)6)27-24(29)21-19-17-15-13-11-9-8-10-12-14-16-18-20-22(2)3/h22-23,25H,7-21H2,1-6H3,(H-,27,29,30,31)/p+1