benzenesulfonate; 1-methoxy-2-methyl-pyridin-1-ium

Systemtic Name: benzenesulfonate; 1-methoxy-2-methyl-pyridin-1-ium Openeye Name: benzenesulfonate; 1-methoxy-2-methyl-pyridin-1-ium CAS Name: benzenesulfonate; 1-methoxy-2-methylpyridin-1-ium IUPAC Name: benzenesulfonate; 1-methoxy-2-methylpyridin-1-ium Traditional Name: 1-methoxy-2-methyl-pyridin-1-ium besylate Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1OC.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=[N+]1OC.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H10NO.C6H6O3S/c1-7-5-3-4-6-8(7)9-2;7-10(8,9)6-4-2-1-3-5-6/h3-6H,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1