2-[2-(2-dodecyloctadecanoylamino)butyl-dimethyl-azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[2-(2-dodecyloctadecanoylamino)butyl-dimethyl-azaniumyl]-2-methyl-propanoate Openeye Name: 2-[2-(2-dodecyloctadecanoylamino)butyl-dimethyl-ammonio]-2-methyl-propanoate CAS Name: 2-[2-[(2-dodecyl-1-oxooctadecyl)amino]butyl-dimethylammonio]-2-methylpropanoate IUPAC Name: 2-[2-(2-dodecyloctadecanoylamino)butyl-dimethylazaniumyl]-2-methylpropanoate Traditional Name: 2-[2-(2-lauryloctadecanoylamino)butyl-dimethyl-ammonio]-2-methyl-propionate Formula: C40H80N2O3 MolecularWeight: 637.0748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)NC(CC)C[N+](C)(C)C(C)(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)C(=O)NC(CC)C[N+](C)(C)C(C)(C)C(=O)[O-]

InChI

InChI=1S/C40H80N2O3/c1-8-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36(33-31-29-27-25-20-18-16-14-12-9-2)38(43)41-37(10-3)35-42(6,7)40(4,5)39(44)45/h36-37H,8-35H2,1-7H3,(H-,41,43,44,45)