iodanylmethane; (1-methylpiperidin-1-ium-1-yl) 2,2-diphenylethanoate

Systemtic Name: iodanylmethane; (1-methylpiperidin-1-ium-1-yl) 2,2-diphenylethanoate Openeye Name: iodomethane; (1-methylpiperidin-1-ium-1-yl) 2,2-diphenylacetate CAS Name: 2,2-diphenylacetic acid (1-methyl-1-piperidin-1-iumyl) ester; iodomethane IUPAC Name: iodomethane; (1-methylpiperidin-1-ium-1-yl) 2,2-diphenylacetate Traditional Name: 2,2-diphenylacetic acid (1-methylpiperidin-1-ium-1-yl) ester; iodomethane Formula: C21H27INO2+ MolecularWeight: 452.34905

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.CI

Isomeric SMILES

C[N+]1(CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.CI

InChI

InChI=1S/C20H24NO2.CH3I/c1-21(15-9-4-10-16-21)23-20(22)19(17-11-5-2-6-12-17)18-13-7-3-8-14-18;1-2/h2-3,5-8,11-14,19H,4,9-10,15-16H2,1H3;1H3/q+1;