5-methoxy-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1-(phenylmethyl)indole iodide

Systemtic Name: 5-methoxy-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1-(phenylmethyl)indole iodide Openeye Name: 1-benzyl-5-methoxy-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indole iodide CAS Name: 5-methoxy-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1-(phenylmethyl)indole iodide IUPAC Name: 1-benzyl-5-methoxy-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]indole iodide Traditional Name: 1-benzyl-5-methoxy-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]indole iodide Formula: C24H23IN2O MolecularWeight: 482.35669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=CN(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=CN(C3=C2C=C(C=C3)OC)CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C24H23N2O.HI/c1-25-14-12-19(13-15-25)8-9-21-18-26(17-20-6-4-3-5-7-20)24-11-10-22(27-2)16-23(21)24;/h3-16,18H,17H2,1-2H3;1H/q+1;/p-1