(2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-(1H-imidazol-3-ium-5-yl)propanoate

Systemtic Name: (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-(1H-imidazol-3-ium-5-yl)propanoate Openeye Name: (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-(1H-imidazol-3-ium-5-yl)propanoate CAS Name: (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-(1H-imidazol-3-ium-5-yl)propanoate IUPAC Name: (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-(1H-imidazol-3-ium-5-yl)propanoate Traditional Name: (2R)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-(1H-imidazol-3-ium-5-yl)propionate Formula: C11H15N5O4S MolecularWeight: 313.3329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)NC(CC2=C[NH+]=CN2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N[C@H](CC2=C[NH+]=CN2)C(=O)[O-]

InChI

InChI=1S/C11H15N5O4S/c1-6-10(7(2)15-14-6)21(19,20)16-9(11(17)18)3-8-4-12-5-13-8/h4-5,9,16H,3H2,1-2H3,(H,12,13)(H,14,15)(H,17,18)/t9-/m1/s1