2-(1-hydroxyethyloxy)ethyl-(1-oxidanyl-2-tetradecyl-hexadecyl)azanium; propanoate

Systemtic Name: 2-(1-hydroxyethyloxy)ethyl-(1-oxidanyl-2-tetradecyl-hexadecyl)azanium; propanoate Openeye Name: 2-(1-hydroxyethoxy)ethyl-(1-hydroxy-2-tetradecyl-hexadecyl)ammonium; propanoate CAS Name: 2-(1-hydroxyethoxy)ethyl-(1-hydroxy-2-tetradecylhexadecyl)ammonium; propanoate IUPAC Name: 2-(1-hydroxyethoxy)ethyl-(1-hydroxy-2-tetradecylhexadecyl)azanium; propanoate Traditional Name: 2-(1-hydroxyethoxy)ethyl-(1-hydroxy-2-myristyl-hexadecyl)ammonium; propionate Formula: C37H77NO5 MolecularWeight: 616.01098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C([NH2+]CCOC(C)O)O.CCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C([NH2+]CCOC(C)O)O.CCC(=O)[O-]

InChI

InChI=1S/C34H71NO3.C3H6O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-33(34(37)35-30-31-38-32(3)36)29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-2-3(4)5/h32-37H,4-31H2,1-3H3;2H2,1H3,(H,4,5)