methylbenzene; pyridin-1-ium; sulfate

Systemtic Name: methylbenzene; pyridin-1-ium; sulfate Openeye Name: pyridin-1-ium; toluene; sulfate CAS Name: pyridin-1-ium; toluene; sulfate IUPAC Name: pyridin-1-ium; toluene; sulfate Traditional Name: pyridin-1-ium; toluene; sulfate Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C7H8.2C5H5N.H2O4S/c1-7-5-3-2-4-6-7;2*1-2-4-6-5-3-1;1-5(2,3)4/h2-6H,1H3;2*1-5H;(H2,1,2,3,4)