4-[(E)-2-(5-bromanyl-1H-indol-3-yl)ethenyl]-1-hexadecyl-quinolin-1-ium

Systemtic Name: 4-[(E)-2-(5-bromanyl-1H-indol-3-yl)ethenyl]-1-hexadecyl-quinolin-1-ium Openeye Name: 4-[(E)-2-(5-bromo-1H-indol-3-yl)vinyl]-1-hexadecyl-quinolin-1-ium CAS Name: 4-[(E)-2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium IUPAC Name: 4-[(E)-2-(5-bromo-1H-indol-3-yl)ethenyl]-1-hexadecylquinolin-1-ium Traditional Name: 4-[(E)-2-(5-bromo-1H-indol-3-yl)vinyl]-1-cetyl-quinolin-1-ium Formula: C35H46BrN2+ MolecularWeight: 574.65714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CNC4=C3C=C(C=C4)Br

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CNC4=C3C=C(C=C4)Br

InChI

InChI=1S/C35H45BrN2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25-38-26-24-29(32-18-15-16-19-35(32)38)20-21-30-28-37-34-23-22-31(36)27-33(30)34/h15-16,18-24,26-28H,2-14,17,25H2,1H3/p+1