methyl-(2-oxidanyl-3-sulfo-propyl)-bis(1-phenylpentadecyl)azanium

Systemtic Name: methyl-(2-oxidanyl-3-sulfo-propyl)-bis(1-phenylpentadecyl)azanium Openeye Name: (2-hydroxy-3-sulfo-propyl)-methyl-bis(1-phenylpentadecyl)ammonium CAS Name: (2-hydroxy-3-sulfopropyl)-methyl-bis(1-phenylpentadecyl)ammonium IUPAC Name: (2-hydroxy-3-sulfopropyl)-methyl-bis(1-phenylpentadecyl)azanium Traditional Name: (2-hydroxy-3-sulfo-propyl)-methyl-bis(1-phenylpentadecyl)ammonium Formula: C46H80NO4S+ MolecularWeight: 743.1967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(CC(CS(=O)(=O)O)O)C(CCCCCCCCCCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(CC(CS(=O)(=O)O)O)C(CCCCCCCCCCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C46H79NO4S/c1-4-6-8-10-12-14-16-18-20-22-24-32-38-45(42-34-28-26-29-35-42)47(3,40-44(48)41-52(49,50)51)46(43-36-30-27-31-37-43)39-33-25-23-21-19-17-15-13-11-9-7-5-2/h26-31,34-37,44-46,48H,4-25,32-33,38-41H2,1-3H3/p+1