1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid; hydron; chloride

Systemtic Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid; hydron; chloride Openeye Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid; hydron; chloride CAS Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-piperidinecarboxylic acid; hydron; chloride IUPAC Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid; hydron; chloride Traditional Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]isonipecotic acid; hydron; chloride Formula: C11H18ClN3O4S MolecularWeight: 323.79632

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)C(=O)O.[Cl-]

Isomeric SMILES

[H+].CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)C(=O)O.[Cl-]

InChI

InChI=1S/C11H17N3O4S.ClH/c1-7-10(8(2)13-12-7)19(17,18)14-5-3-9(4-6-14)11(15)16;/h9H,3-6H2,1-2H3,(H,12,13)(H,15,16);1H