2-[4-[19,23-bis(oxidanylidene)hentetracontan-20-ylcarbamoyl]phenoxy]ethyl-trimethyl-azanium

Systemtic Name: 2-[4-[19,23-bis(oxidanylidene)hentetracontan-20-ylcarbamoyl]phenoxy]ethyl-trimethyl-azanium Openeye Name: trimethyl-[2-[4-[(1-nonadecanoyl-4-oxo-docosyl)carbamoyl]phenoxy]ethyl]ammonium CAS Name: 2-[4-[(19,23-dioxohentetracontan-20-ylamino)-oxomethyl]phenoxy]ethyl-trimethylammonium IUPAC Name: 2-[4-(19,23-dioxohentetracontan-20-ylcarbamoyl)phenoxy]ethyl-trimethylazanium Traditional Name: 2-[4-[(4-keto-1-nonadecanoyl-docosyl)carbamoyl]phenoxy]ethyl-trimethyl-ammonium Formula: C53H97N2O4+ MolecularWeight: 826.34828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)CCC(C(=O)CCCCCCCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)CCC(C(=O)CCCCCCCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)OCC[N+](C)(C)C

InChI

InChI=1S/C53H96N2O4/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-49(56)42-45-51(54-53(58)48-40-43-50(44-41-48)59-47-46-55(3,4)5)52(57)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40-41,43-44,51H,6-39,42,45-47H2,1-5H3/p+1