methyl 4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]benzoate iodide

Systemtic Name: methyl 4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]benzoate iodide Openeye Name: methyl 4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]benzoate iodide CAS Name: 4-[(2,3,3-trimethyl-1-indol-1-iumyl)methyl]benzoic acid methyl ester iodide IUPAC Name: methyl 4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]benzoate iodide Traditional Name: 4-[(2,3,3-trimethylindol-1-ium-1-yl)methyl]benzoic acid methyl ester iodide Formula: C20H22INO2 MolecularWeight: 435.29865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C1(C)C)CC3=CC=C(C=C3)C(=O)OC.[I-]

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C1(C)C)CC3=CC=C(C=C3)C(=O)OC.[I-]

InChI

InChI=1S/C20H22NO2.HI/c1-14-20(2,3)17-7-5-6-8-18(17)21(14)13-15-9-11-16(12-10-15)19(22)23-4;/h5-12H,13H2,1-4H3;1H/q+1;/p-1