dimethyl-(1-octadecoxy-2-oxidanyl-henicosan-4-yl)azanium; hydrogen sulfate; naphthalene

Systemtic Name: dimethyl-(1-octadecoxy-2-oxidanyl-henicosan-4-yl)azanium; hydrogen sulfate; naphthalene Openeye Name: hydrogen sulfate; 1-(2-hydroxy-3-octadecoxy-propyl)octadecyl-dimethyl-ammonium; naphthalene CAS Name: hydrogen sulfate; (2-hydroxy-1-octadecoxyheneicosan-4-yl)-dimethylammonium; naphthalene IUPAC Name: hydrogen sulfate; (2-hydroxy-1-octadecoxyhenicosan-4-yl)-dimethylazanium; naphthalene Traditional Name: 1-(2-hydroxy-3-stearyloxy-propyl)octadecyl-dimethyl-ammonium; naphthalene; bisulfate Formula: C51H95NO6S MolecularWeight: 850.3681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CC(CCCCCCCCCCCCCCCCC)[NH+](C)C)O.C1=CC=C2C=CC=CC2=C1.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CC(CCCCCCCCCCCCCCCCC)[NH+](C)C)O.C1=CC=C2C=CC=CC2=C1.OS(=O)(=O)[O-]

InChI

InChI=1S/C41H85NO2.C10H8.H2O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44-39-41(43)38-40(42(3)4)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-2-6-10-8-4-3-7-9(10)5-1;1-5(2,3)4/h40-41,43H,5-39H2,1-4H3;1-8H;(H2,1,2,3,4)