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

Systemtic Name: butyl-dimethyl-[2-(16-methylheptadecanoylamino)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: butyl-[1-carboxy-1-(16-methylheptadecanoylamino)butyl]-dimethyl-ammonium CAS Name: butyl-[1-hydroxy-2-[(16-methyl-1-oxoheptadecyl)amino]-1-oxopentan-2-yl]-dimethylammonium IUPAC Name: butyl-[1-hydroxy-2-(16-methylheptadecanoylamino)-1-oxopentan-2-yl]-dimethylazanium Traditional Name: butyl-[1-carboxy-1-(16-methylheptadecanoylamino)butyl]-dimethyl-ammonium Formula: C29H59N2O3+ MolecularWeight: 483.79036

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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)/p+1