(1-ethyl-3-iodanyl-2,3-dimethyl-indol-1-ium-5-yl)-(3-methylphenyl)methanone

Systemtic Name: (1-ethyl-3-iodanyl-2,3-dimethyl-indol-1-ium-5-yl)-(3-methylphenyl)methanone Openeye Name: (1-ethyl-3-iodo-2,3-dimethyl-indol-1-ium-5-yl)-(m-tolyl)methanone CAS Name: (1-ethyl-3-iodo-2,3-dimethyl-5-indol-1-iumyl)-(3-methylphenyl)methanone IUPAC Name: (1-ethyl-3-iodo-2,3-dimethylindol-1-ium-5-yl)-(3-methylphenyl)methanone Traditional Name: (1-ethyl-3-iodo-2,3-dimethyl-indol-1-ium-5-yl)-(m-tolyl)methanone Formula: C20H21INO+ MolecularWeight: 418.29131

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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