1,1-bis(diethylphosphorylmethyl)-4-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-ium

Systemtic Name: 1,1-bis(diethylphosphorylmethyl)-4-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-ium Openeye Name: 1,1-bis(diethylphosphorylmethyl)-4-(p-tolylsulfonyl)-1,4,7-triazonan-1-ium CAS Name: 1,1-bis(diethylphosphorylmethyl)-4-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-ium IUPAC Name: 1,1-bis(diethylphosphorylmethyl)-4-(4-methylphenyl)sulfonyl-1,4,7-triazonan-1-ium Traditional Name: 1,1-bis(diethylphosphorylmethyl)-4-tosyl-1,4,7-triazonan-1-ium Formula: C23H44N3O4P2S+ MolecularWeight: 520.625682

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Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(CC)C[N+]1(CCNCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)CP(=O)(CC)CC

Isomeric SMILES

CCP(=O)(CC)C[N+]1(CCNCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C)CP(=O)(CC)CC

InChI

InChI=1S/C23H44N3O4P2S/c1-6-31(27,7-2)20-26(21-32(28,8-3)9-4)18-15-24-14-16-25(17-19-26)33(29,30)23-12-10-22(5)11-13-23/h10-13,24H,6-9,14-21H2,1-5H3/q+1