[2,5-dimethyl-1-(phenylcarbonyl)-4-[(trimethylazaniumyl)methyl]pyrrol-3-yl]methyl-trimethyl-azanium diiodide

Systemtic Name: [2,5-dimethyl-1-(phenylcarbonyl)-4-[(trimethylazaniumyl)methyl]pyrrol-3-yl]methyl-trimethyl-azanium diiodide Openeye Name: [1-benzoyl-2,5-dimethyl-4-[(trimethylammonio)methyl]pyrrol-3-yl]methyl-trimethyl-ammonium diiodide CAS Name: [1-benzoyl-2,5-dimethyl-4-[(trimethylammonio)methyl]-3-pyrrolyl]methyl-trimethylammonium diiodide IUPAC Name: [1-benzoyl-2,5-dimethyl-4-[(trimethylazaniumyl)methyl]pyrrol-3-yl]methyl-trimethylazanium diiodide Traditional Name: [1-benzoyl-2,5-dimethyl-4-[(trimethylammonio)methyl]pyrrol-3-yl]methyl-trimethyl-ammonium diiodide Formula: C21H33I2N3O MolecularWeight: 597.31516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C(=O)C2=CC=CC=C2)C)C[N+](C)(C)C)C[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

CC1=C(C(=C(N1C(=O)C2=CC=CC=C2)C)C[N+](C)(C)C)C[N+](C)(C)C.[I-].[I-]

InChI

InChI=1S/C21H33N3O.2HI/c1-16-19(14-23(3,4)5)20(15-24(6,7)8)17(2)22(16)21(25)18-12-10-9-11-13-18;;/h9-13H,14-15H2,1-8H3;2*1H/q+2;;/p-2