1-[1-(phenylmethyl)indol-3-yl]-2-pyridin-1-ium-1-yl-ethanone iodide

Systemtic Name: 1-[1-(phenylmethyl)indol-3-yl]-2-pyridin-1-ium-1-yl-ethanone iodide Openeye Name: 1-(1-benzylindol-3-yl)-2-pyridin-1-ium-1-yl-ethanone iodide CAS Name: 1-[1-(phenylmethyl)-3-indolyl]-2-(1-pyridin-1-iumyl)ethanone iodide IUPAC Name: 1-(1-benzylindol-3-yl)-2-pyridin-1-ium-1-ylethanone iodide Traditional Name: 1-(1-benzylindol-3-yl)-2-pyridin-1-ium-1-yl-ethanone iodide Formula: C22H19IN2O MolecularWeight: 454.30353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C[N+]4=CC=CC=C4.[I-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C[N+]4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H19N2O.HI/c25-22(17-23-13-7-2-8-14-23)20-16-24(15-18-9-3-1-4-10-18)21-12-6-5-11-19(20)21;/h1-14,16H,15,17H2;1H/q+1;/p-1