methyl-(4-oxidanyl-4-oxidanylidene-butyl)-bis(1-phenylheptadecyl)azanium

Systemtic Name: methyl-(4-oxidanyl-4-oxidanylidene-butyl)-bis(1-phenylheptadecyl)azanium Openeye Name: (4-hydroxy-4-oxo-butyl)-methyl-bis(1-phenylheptadecyl)ammonium CAS Name: (4-hydroxy-4-oxobutyl)-methyl-bis(1-phenylheptadecyl)ammonium IUPAC Name: (4-hydroxy-4-oxobutyl)-methyl-bis(1-phenylheptadecyl)azanium Traditional Name: (4-hydroxy-4-keto-butyl)-methyl-bis(1-phenylheptadecyl)ammonium Formula: C51H88NO2+ MolecularWeight: 747.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(CCCC(=O)O)C(CCCCCCCCCCCCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(CCCC(=O)O)C(CCCCCCCCCCCCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C51H87NO2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-36-43-49(47-39-32-30-33-40-47)52(3,46-38-45-51(53)54)50(48-41-34-31-35-42-48)44-37-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h30-35,39-42,49-50H,4-29,36-38,43-46H2,1-3H3/p+1