(1-ethyl-4-iodanyl-2,3,3-trimethyl-indol-1-ium-5-yl)-phenyl-methanone

Systemtic Name: (1-ethyl-4-iodanyl-2,3,3-trimethyl-indol-1-ium-5-yl)-phenyl-methanone Openeye Name: (1-ethyl-4-iodo-2,3,3-trimethyl-indol-1-ium-5-yl)-phenyl-methanone CAS Name: (1-ethyl-4-iodo-2,3,3-trimethyl-5-indol-1-iumyl)-phenylmethanone IUPAC Name: (1-ethyl-4-iodo-2,3,3-trimethylindol-1-ium-5-yl)-phenylmethanone Traditional Name: (1-ethyl-4-iodo-2,3,3-trimethyl-indol-1-ium-5-yl)-phenyl-methanone Formula: C20H21INO+ MolecularWeight: 418.29131

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC(=C2I)C(=O)C3=CC=CC=C3)(C)C)C

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC(=C2I)C(=O)C3=CC=CC=C3)(C)C)C

InChI

InChI=1S/C20H21INO/c1-5-22-13(2)20(3,4)17-16(22)12-11-15(18(17)21)19(23)14-9-7-6-8-10-14/h6-12H,5H2,1-4H3/q+1