1-[7-(4-iodophenyl)carbonyl-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-yl]ethanone

Systemtic Name: 1-[7-(4-iodophenyl)carbonyl-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-yl]ethanone Openeye Name: 1-[7-(4-iodobenzoyl)-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-yl]ethanone CAS Name: 1-[7-[(4-iodophenyl)-oxomethyl]-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-yl]ethanone IUPAC Name: 1-[7-(4-iodobenzoyl)-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-yl]ethanone Traditional Name: 1-[7-(4-iodobenzoyl)-3-phenyl-4aH-pyrrolo[1,2-c]pyrimidin-8-ium-5-yl]ethanone Formula: C22H16IN2O2+ MolecularWeight: 467.27911

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=[N+]2C1C=C(N=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)I

Isomeric SMILES

CC(=O)C1=CC(=[N+]2C1C=C(N=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C22H16IN2O2/c1-14(26)18-11-21(22(27)16-7-9-17(23)10-8-16)25-13-24-19(12-20(18)25)15-5-3-2-4-6-15/h2-13,20H,1H3/q+1