2-(1,1-dimethylpiperidin-1-ium-2-yl)-2-(1-methylindazol-3-yl)ethanoic acid iodide

Systemtic Name: 2-(1,1-dimethylpiperidin-1-ium-2-yl)-2-(1-methylindazol-3-yl)ethanoic acid iodide Openeye Name: 2-(1,1-dimethylpiperidin-1-ium-2-yl)-2-(1-methylindazol-3-yl)acetic acid iodide CAS Name: 2-(1,1-dimethyl-2-piperidin-1-iumyl)-2-(1-methyl-3-indazolyl)acetic acid iodide IUPAC Name: 2-(1,1-dimethylpiperidin-1-ium-2-yl)-2-(1-methylindazol-3-yl)acetic acid iodide Traditional Name: 2-(1,1-dimethylpiperidin-1-ium-2-yl)-2-(1-methylindazol-3-yl)acetic acid iodide Formula: C17H24IN3O2 MolecularWeight: 429.29583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=N1)C(C3CCCC[N+]3(C)C)C(=O)O.[I-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=N1)C(C3CCCC[N+]3(C)C)C(=O)O.[I-]

InChI

InChI=1S/C17H23N3O2.HI/c1-19-13-9-5-4-8-12(13)16(18-19)15(17(21)22)14-10-6-7-11-20(14,2)3;/h4-5,8-9,14-15H,6-7,10-11H2,1-3H3;1H