1-ethyl-4-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]quinolin-1-ium iodide

Systemtic Name: 1-ethyl-4-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]quinolin-1-ium iodide Openeye Name: 1-ethyl-4-[(E)-2-(5-methoxy-1H-indol-3-yl)vinyl]quinolin-1-ium iodide CAS Name: 1-ethyl-4-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]quinolin-1-ium iodide IUPAC Name: 1-ethyl-4-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]quinolin-1-ium iodide Traditional Name: 1-ethyl-4-[(E)-2-(5-methoxy-1H-indol-3-yl)vinyl]quinolin-1-ium iodide Formula: C22H21IN2O MolecularWeight: 456.31941

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CNC4=C3C=C(C=C4)OC.[I-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CNC4=C3C=C(C=C4)OC.[I-]

InChI

InChI=1S/C22H20N2O.HI/c1-3-24-13-12-16(19-6-4-5-7-22(19)24)8-9-17-15-23-21-11-10-18(25-2)14-20(17)21;/h4-15H,3H2,1-2H3;1H