trimethyl-[[2-methyl-3-(phenylcarbonyl)azulen-1-yl]methyl]azanium iodide

Systemtic Name: trimethyl-[[2-methyl-3-(phenylcarbonyl)azulen-1-yl]methyl]azanium iodide Openeye Name: (3-benzoyl-2-methyl-azulen-1-yl)methyl-trimethyl-ammonium iodide CAS Name: (3-benzoyl-2-methyl-1-azulenyl)methyl-trimethylammonium iodide IUPAC Name: (3-benzoyl-2-methylazulen-1-yl)methyl-trimethylazanium iodide Traditional Name: (3-benzoyl-2-methyl-azulen-1-yl)methyl-trimethyl-ammonium iodide Formula: C22H24INO MolecularWeight: 445.33653

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=CC2=C1C[N+](C)(C)C)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC1=C(C2=CC=CC=CC2=C1C[N+](C)(C)C)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C22H24NO.HI/c1-16-20(15-23(2,3)4)18-13-9-6-10-14-19(18)21(16)22(24)17-11-7-5-8-12-17;/h5-14H,15H2,1-4H3;1H/q+1;/p-1