dimethyl-bis(12-oxidanylidene-12-phenylmethoxy-dodecyl)azanium

Systemtic Name: dimethyl-bis(12-oxidanylidene-12-phenylmethoxy-dodecyl)azanium Openeye Name: bis(12-benzyloxy-12-oxo-dodecyl)-dimethyl-ammonium CAS Name: dimethyl-bis(12-oxo-12-phenylmethoxydodecyl)ammonium IUPAC Name: dimethyl-bis(12-oxo-12-phenylmethoxydodecyl)azanium Traditional Name: bis(12-benzoxy-12-keto-dodecyl)-dimethyl-ammonium Formula: C40H64NO4+ MolecularWeight: 622.94046

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCCCCC(=O)OCC1=CC=CC=C1)CCCCCCCCCCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(CCCCCCCCCCCC(=O)OCC1=CC=CC=C1)CCCCCCCCCCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C40H64NO4/c1-41(2,33-25-15-11-7-3-5-9-13-23-31-39(42)44-35-37-27-19-17-20-28-37)34-26-16-12-8-4-6-10-14-24-32-40(43)45-36-38-29-21-18-22-30-38/h17-22,27-30H,3-16,23-26,31-36H2,1-2H3/q+1