azanium 2-methyl-3-(octadecanoylamino)-2-propyl-hexadecanoate

Systemtic Name: azanium 2-methyl-3-(octadecanoylamino)-2-propyl-hexadecanoate Openeye Name: ammonium 2-methyl-3-(octadecanoylamino)-2-propyl-hexadecanoate CAS Name: ammonium 2-methyl-3-(1-oxooctadecylamino)-2-propylhexadecanoate IUPAC Name: azanium 2-methyl-3-(octadecanoylamino)-2-propylhexadecanoate Traditional Name: ammonium 2-methyl-2-propyl-3-stearamido-palmitate Formula: C38H78N2O3 MolecularWeight: 611.03752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCC)C(C)(CCC)C(=O)[O-].[NH4+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCCCCCCCCCCCC)C(C)(CCC)C(=O)[O-].[NH4+]

InChI

InChI=1S/C38H75NO3.H3N/c1-5-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-36(40)39-35(38(4,34-7-3)37(41)42)32-30-28-26-24-22-17-15-13-11-9-6-2;/h35H,5-34H2,1-4H3,(H,39,40)(H,41,42);1H3