5-azanyl-3-methyl-1-prop-2-enyl-imidazol-1-ium-4-carboxamide; 4-methylbenzenesulfonate

Systemtic Name: 5-azanyl-3-methyl-1-prop-2-enyl-imidazol-1-ium-4-carboxamide; 4-methylbenzenesulfonate Openeye Name: 1-allyl-5-amino-3-methyl-imidazol-1-ium-4-carboxamide; 4-methylbenzenesulfonate CAS Name: 5-amino-3-methyl-1-prop-2-enyl-4-imidazol-1-iumcarboxamide; 4-methylbenzenesulfonate IUPAC Name: 5-amino-3-methyl-1-prop-2-enylimidazol-1-ium-4-carboxamide; 4-methylbenzenesulfonate Traditional Name: 1-allyl-5-amino-3-methyl-imidazol-1-ium-4-carboxamide tosylate Formula: C15H20N4O4S MolecularWeight: 352.4087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=[N+](C(=C1C(=O)N)N)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=[N+](C(=C1C(=O)N)N)CC=C

InChI

InChI=1S/C8H12N4O.C7H8O3S/c1-3-4-12-5-11(2)6(7(12)9)8(10)13;1-6-2-4-7(5-3-6)11(8,9)10/h3,5H,1,4H2,2H3,(H3-,9,10,13);2-5H,1H3,(H,8,9,10)