2-[butyl(dimethyl)azaniumyl]-2-(16-methylheptadecanoylamino)pentanoate

Systemtic Name: 2-[butyl(dimethyl)azaniumyl]-2-(16-methylheptadecanoylamino)pentanoate Openeye Name: 2-[butyl(dimethyl)ammonio]-2-(16-methylheptadecanoylamino)pentanoate CAS Name: 2-[butyl(dimethyl)ammonio]-2-[(16-methyl-1-oxoheptadecyl)amino]pentanoate IUPAC Name: 2-[butyl(dimethyl)azaniumyl]-2-(16-methylheptadecanoylamino)pentanoate Traditional Name: 2-[butyl(dimethyl)ammonio]-2-(16-methylheptadecanoylamino)valerate Formula: C29H58N2O3 MolecularWeight: 482.78242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H58N2O3/c1-7-9-25-31(5,6)29(24-8-2,28(33)34)30-27(32)23-21-19-17-15-13-11-10-12-14-16-18-20-22-26(3)4/h26H,7-25H2,1-6H3,(H-,30,32,33,34)