2-[(E)-2-[1-(4-iodanylbutyl)quinolin-1-ium-4-yl]ethenyl]phenol

Systemtic Name: 2-[(E)-2-[1-(4-iodanylbutyl)quinolin-1-ium-4-yl]ethenyl]phenol Openeye Name: 2-[(E)-2-[1-(4-iodobutyl)quinolin-1-ium-4-yl]vinyl]phenol CAS Name: 2-[(E)-2-[1-(4-iodobutyl)-4-quinolin-1-iumyl]ethenyl]phenol IUPAC Name: 2-[(E)-2-[1-(4-iodobutyl)quinolin-1-ium-4-yl]ethenyl]phenol Traditional Name: 2-[(E)-2-[1-(4-iodobutyl)quinolin-1-ium-4-yl]vinyl]phenol Formula: C21H21INO+ MolecularWeight: 430.30201

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC2=CC=[N+](C3=CC=CC=C23)CCCCI)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C/C2=CC=[N+](C3=CC=CC=C23)CCCCI)O

InChI

InChI=1S/C21H20INO/c22-14-5-6-15-23-16-13-17(19-8-2-3-9-20(19)23)11-12-18-7-1-4-10-21(18)24/h1-4,7-13,16H,5-6,14-15H2/p+1