2-butyl-1H-imidazol-3-ium-3-amine; 2-[(E)-oxidanidyliminomethyl]benzenesulfonic acid

Systemtic Name: 2-butyl-1H-imidazol-3-ium-3-amine; 2-[(E)-oxidanidyliminomethyl]benzenesulfonic acid Openeye Name: 2-butyl-1H-imidazol-3-ium-3-amine; 2-[(E)-oxidoiminomethyl]benzenesulfonic acid CAS Name: 2-butyl-1H-imidazol-3-ium-3-amine; 2-[(E)-oxidoiminomethyl]benzenesulfonic acid IUPAC Name: 2-butyl-1H-imidazol-3-ium-3-amine; 2-[(E)-oxidoiminomethyl]benzenesulfonic acid Traditional Name: (2-butyl-1H-imidazol-3-ium-3-yl)amine; 2-[(E)-oxidoiminomethyl]besylic acid Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C=CN1)N.C1=CC=C(C(=C1)C=N[O-])S(=O)(=O)O

Isomeric SMILES

CCCCC1=[N+](C=CN1)N.C1=CC=C(C(=C1)/C=N/[O-])S(=O)(=O)O

InChI

InChI=1S/C7H13N3.C7H7NO4S/c1-2-3-4-7-9-5-6-10(7)8;9-8-5-6-3-1-2-4-7(6)13(10,11)12/h5-6H,2-4,8H2,1H3;1-5,9H,(H,10,11,12)/b;8-5+