N-butyl-4-[(E)-2-(1-octadecylquinolin-1-ium-4-yl)ethenyl]aniline

Systemtic Name: N-butyl-4-[(E)-2-(1-octadecylquinolin-1-ium-4-yl)ethenyl]aniline Openeye Name: N-butyl-4-[(E)-2-(1-octadecylquinolin-1-ium-4-yl)vinyl]aniline CAS Name: N-butyl-4-[(E)-2-(1-octadecyl-4-quinolin-1-iumyl)ethenyl]aniline IUPAC Name: N-butyl-4-[(E)-2-(1-octadecylquinolin-1-ium-4-yl)ethenyl]aniline Traditional Name: butyl-[4-[(E)-2-(1-stearylquinolin-1-ium-4-yl)vinyl]phenyl]amine Formula: C39H59N2+ MolecularWeight: 555.89916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC=C(C=C3)NCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC=C(C=C3)NCCCC

InChI

InChI=1S/C39H58N2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-33-41-34-31-36(38-23-20-21-24-39(38)41)28-25-35-26-29-37(30-27-35)40-32-6-4-2/h20-21,23-31,34H,3-19,22,32-33H2,1-2H3/p+1