2-[6-methoxy-2-[(E)-2-phenanthren-9-ylethenyl]quinolin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[6-methoxy-2-[(E)-2-phenanthren-9-ylethenyl]quinolin-1-ium-1-yl]ethanamine Openeye Name: 2-[6-methoxy-2-[(E)-2-(9-phenanthryl)vinyl]quinolin-1-ium-1-yl]ethanamine CAS Name: 2-[6-methoxy-2-[(E)-2-(9-phenanthrenyl)ethenyl]-1-quinolin-1-iumyl]ethanamine IUPAC Name: 2-[6-methoxy-2-[(E)-2-phenanthren-9-ylethenyl]quinolin-1-ium-1-yl]ethanamine Traditional Name: 2-[6-methoxy-2-[(E)-2-(9-phenanthryl)vinyl]quinolin-1-ium-1-yl]ethylamine Formula: C28H25N2O+ MolecularWeight: 405.5109

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC4=CC=CC=C4C5=CC=CC=C53)CCN

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=CC4=CC=CC=C4C5=CC=CC=C53)CCN

InChI

InChI=1S/C28H25N2O/c1-31-24-14-15-28-22(19-24)11-13-23(30(28)17-16-29)12-10-21-18-20-6-2-3-7-25(20)27-9-5-4-8-26(21)27/h2-15,18-19H,16-17,29H2,1H3/q+1/b12-10+