[1,3-bis(oxidanyl)-1-[4-(tetradecanoylamino)phenyl]propan-2-yl]-trimethyl-azanium

Systemtic Name: [1,3-bis(oxidanyl)-1-[4-(tetradecanoylamino)phenyl]propan-2-yl]-trimethyl-azanium Openeye Name: [2-hydroxy-1-(hydroxymethyl)-2-[4-(tetradecanoylamino)phenyl]ethyl]-trimethyl-ammonium CAS Name: [1,3-dihydroxy-1-[4-(1-oxotetradecylamino)phenyl]propan-2-yl]-trimethylammonium IUPAC Name: [1,3-dihydroxy-1-[4-(tetradecanoylamino)phenyl]propan-2-yl]-trimethylazanium Traditional Name: [2-hydroxy-1-methylol-2-[4-(tetradecanoylamino)phenyl]ethyl]-trimethyl-ammonium Formula: C26H47N2O3+ MolecularWeight: 435.66298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(C(CO)[N+](C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(C(CO)[N+](C)(C)C)O

InChI

InChI=1S/C26H46N2O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(30)27-23-19-17-22(18-20-23)26(31)24(21-29)28(2,3)4/h17-20,24,26,29,31H,5-16,21H2,1-4H3/p+1