diethyl-methyl-[2-[3-oxidanylidene-1-(phenylmethyl)indazol-2-yl]ethyl]azanium iodide

Systemtic Name: diethyl-methyl-[2-[3-oxidanylidene-1-(phenylmethyl)indazol-2-yl]ethyl]azanium iodide Openeye Name: 2-(1-benzyl-3-oxo-indazol-2-yl)ethyl-diethyl-methyl-ammonium iodide CAS Name: diethyl-methyl-[2-[3-oxo-1-(phenylmethyl)-2-indazolyl]ethyl]ammonium iodide IUPAC Name: 2-(1-benzyl-3-oxoindazol-2-yl)ethyl-diethyl-methylazanium iodide Traditional Name: 2-(1-benzyl-3-keto-indazolin-2-yl)ethyl-diethyl-methyl-ammonium iodide Formula: C21H28IN3O MolecularWeight: 465.37099

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCN1C(=O)C2=CC=CC=C2N1CC3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCN1C(=O)C2=CC=CC=C2N1CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C21H28N3O.HI/c1-4-24(3,5-2)16-15-22-21(25)19-13-9-10-14-20(19)23(22)17-18-11-7-6-8-12-18;/h6-14H,4-5,15-17H2,1-3H3;1H/q+1;/p-1