2-[dimethyl-[2-(16-methylheptadecanoylamino)butyl]azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[dimethyl-[2-(16-methylheptadecanoylamino)butyl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[dimethyl-[2-(16-methylheptadecanoylamino)butyl]ammonio]-2-methyl-propanoate CAS Name: 2-[dimethyl-[2-[(16-methyl-1-oxoheptadecyl)amino]butyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[dimethyl-[2-(16-methylheptadecanoylamino)butyl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[dimethyl-[2-(16-methylheptadecanoylamino)butyl]ammonio]-2-methyl-propionate Formula: C28H56N2O3 MolecularWeight: 468.75584

Click to see the large picture

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)