4-(phenylmethyl)-1-aza-4-azoniabicyclo[2.2.2]octane; sulfonatooxy sulfate

Systemtic Name: 4-(phenylmethyl)-1-aza-4-azoniabicyclo[2.2.2]octane; sulfonatooxy sulfate Openeye Name: 4-benzyl-1-aza-4-azoniabicyclo[2.2.2]octane; sulfonatooxy sulfate CAS Name: 4-(phenylmethyl)-1-aza-4-azoniabicyclo[2.2.2]octane; sulfonatooxy sulfate IUPAC Name: 4-benzyl-1-aza-4-azoniabicyclo[2.2.2]octane; sulfonatooxy sulfate Traditional Name: 4-benzyl-1-aza-4-azoniabicyclo[2.2.2]octane; sulfato sulfate Formula: C26H38N4O8S2 MolecularWeight: 598.73192

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC3=CC=CC=C3.C1C[N+]2(CCN1CC2)CC3=CC=CC=C3.[O-]S(=O)(=O)OOS(=O)(=O)[O-]

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC3=CC=CC=C3.C1C[N+]2(CCN1CC2)CC3=CC=CC=C3.[O-]S(=O)(=O)OOS(=O)(=O)[O-]

InChI

InChI=1S/2C13H19N2.H2O8S2/c2*1-2-4-13(5-3-1)12-15-9-6-14(7-10-15)8-11-15;1-9(2,3)7-8-10(4,5)6/h2*1-5H,6-12H2;(H,1,2,3)(H,4,5,6)/q2*+1;/p-2