trimethyl-(1,2,3,9-tetramethoxy-10-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)azanium iodide

Systemtic Name: trimethyl-(1,2,3,9-tetramethoxy-10-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-7-yl)azanium iodide Openeye Name: trimethyl-(1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ammonium iodide CAS Name: trimethyl-(1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)ammonium iodide IUPAC Name: trimethyl-(1,2,3,9-tetramethoxy-10-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)azanium iodide Traditional Name: (10-keto-1,2,3,9-tetramethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl)-trimethyl-ammonium iodide Formula: C23H30INO5 MolecularWeight: 527.39247

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)OC)OC)OC)OC.[I-]

Isomeric SMILES

C[N+](C)(C)C1CCC2=CC(=C(C(=C2C3=C1C=C(C(=O)C=C3)OC)OC)OC)OC.[I-]

InChI

InChI=1S/C23H30NO5.HI/c1-24(2,3)17-10-8-14-12-20(27-5)22(28-6)23(29-7)21(14)15-9-11-18(25)19(26-4)13-16(15)17;/h9,11-13,17H,8,10H2,1-7H3;1H/q+1;/p-1