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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=C4C=CC=CC4=CC5=CC=CC=C53)CCN

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=C(C=C2)/C=C/C3=C4C=CC=CC4=CC5=CC=CC=C53)CCN

InChI

InChI=1S/C28H25N2O/c1-31-24-13-15-28-22(19-24)10-11-23(30(28)17-16-29)12-14-27-25-8-4-2-6-20(25)18-21-7-3-5-9-26(21)27/h2-15,18-19H,16-17,29H2,1H3/q+1/b14-12+