(3-azanyl-2-methyl-1H-imidazol-3-ium-4-yl)methanol; 2-[(E)-oxidanidyliminomethyl]benzenesulfonic acid

Systemtic Name: (3-azanyl-2-methyl-1H-imidazol-3-ium-4-yl)methanol; 2-[(E)-oxidanidyliminomethyl]benzenesulfonic acid Openeye Name: (3-amino-2-methyl-1H-imidazol-3-ium-4-yl)methanol; 2-[(E)-oxidoiminomethyl]benzenesulfonic acid CAS Name: (3-amino-2-methyl-1H-imidazol-3-ium-4-yl)methanol; 2-[(E)-oxidoiminomethyl]benzenesulfonic acid IUPAC Name: (3-amino-2-methyl-1H-imidazol-3-ium-4-yl)methanol; 2-[(E)-oxidoiminomethyl]benzenesulfonic acid Traditional Name: (3-amino-2-methyl-1H-imidazol-3-ium-4-yl)methanol; 2-[(E)-oxidoiminomethyl]besylic acid Formula: C12H16N4O5S MolecularWeight: 328.34424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CN1)CO)N.C1=CC=C(C(=C1)C=N[O-])S(=O)(=O)O

Isomeric SMILES

CC1=[N+](C(=CN1)CO)N.C1=CC=C(C(=C1)/C=N/[O-])S(=O)(=O)O

InChI

InChI=1S/C7H7NO4S.C5H9N3O/c9-8-5-6-3-1-2-4-7(6)13(10,11)12;1-4-7-2-5(3-9)8(4)6/h1-5,9H,(H,10,11,12);2,9H,3,6H2,1H3/b8-5+;