[2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-methoxy-3-oxidanylidene-propyl]-trimethyl-azanium iodide

Systemtic Name: [2-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-3-methoxy-3-oxidanylidene-propyl]-trimethyl-azanium iodide Openeye Name: [2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methoxy-3-oxo-propyl]-trimethyl-ammonium iodide CAS Name: [2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methoxy-3-oxopropyl]-trimethylammonium iodide IUPAC Name: [2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-methoxy-3-oxopropyl]-trimethylazanium iodide Traditional Name: [2-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-keto-3-methoxy-propyl]-trimethyl-ammonium iodide Formula: C15H21ClINO4 MolecularWeight: 441.68901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC1=CC2=C(C=C1Cl)OCO2)C(=O)OC.[I-]

Isomeric SMILES

C[N+](C)(C)CC(CC1=CC2=C(C=C1Cl)OCO2)C(=O)OC.[I-]

InChI

InChI=1S/C15H21ClNO4.HI/c1-17(2,3)8-11(15(18)19-4)5-10-6-13-14(7-12(10)16)21-9-20-13;/h6-7,11H,5,8-9H2,1-4H3;1H/q+1;/p-1