heptatriacontan-19-ylazanium; 2-sulfo-2-(trimethylazaniumyl)pentanoate

Systemtic Name: heptatriacontan-19-ylazanium; 2-sulfo-2-(trimethylazaniumyl)pentanoate Openeye Name: 1-octadecylnonadecylammonium; 2-sulfo-2-(trimethylammonio)pentanoate CAS Name: heptatriacontan-19-ylammonium; 2-sulfo-2-(trimethylammonio)pentanoate IUPAC Name: heptatriacontan-19-ylazanium; 2-sulfo-2-(trimethylazaniumyl)pentanoate Traditional Name: 1-stearylnonadecylammonium; 2-sulfo-2-(trimethylammonio)valerate Formula: C45H95N2O5S+ MolecularWeight: 776.3112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)[NH3+].CCCC(C(=O)[O-])([N+](C)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)[NH3+].CCCC(C(=O)[O-])([N+](C)(C)C)S(=O)(=O)O

InChI

InChI=1S/C37H77N.C8H17NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-6-8(7(10)11,9(2,3)4)15(12,13)14/h37H,3-36,38H2,1-2H3;5-6H2,1-4H3,(H-,10,11,12,13,14)/p+1