3-tert-butyl-5-(2-chloroethyl)-1H-pyrazol-2-ium chloride

Systemtic Name: 3-tert-butyl-5-(2-chloroethyl)-1H-pyrazol-2-ium chloride Openeye Name: 3-tert-butyl-5-(2-chloroethyl)-1H-pyrazol-2-ium chloride CAS Name: 3-tert-butyl-5-(2-chloroethyl)-1H-pyrazol-2-ium chloride IUPAC Name: 3-tert-butyl-5-(2-chloroethyl)-1H-pyrazol-2-ium chloride Traditional Name: 3-tert-butyl-5-(2-chloroethyl)-1H-pyrazol-2-ium chloride Formula: C9H16Cl2N2 MolecularWeight: 223.14274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[NH+]NC(=C1)CCCl.[Cl-]

Isomeric SMILES

CC(C)(C)C1=[NH+]NC(=C1)CCCl.[Cl-]

InChI

InChI=1S/C9H15ClN2.ClH/c1-9(2,3)8-6-7(4-5-10)11-12-8;/h6H,4-5H2,1-3H3,(H,11,12);1H