(4E)-1-hexadecyl-4-[(E)-3-(1-hexadecylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline

Systemtic Name: (4E)-1-hexadecyl-4-[(E)-3-(1-hexadecylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline Openeye Name: (4E)-1-hexadecyl-4-[(E)-3-(1-hexadecylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline CAS Name: (4E)-1-hexadecyl-4-[(E)-3-(1-hexadecyl-4-quinolin-1-iumyl)prop-2-enylidene]quinoline IUPAC Name: (4E)-1-hexadecyl-4-[(E)-3-(1-hexadecylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline Traditional Name: (4E)-1-cetyl-4-[(E)-3-(1-cetylquinolin-1-ium-4-yl)prop-2-enylidene]quinoline Formula: C53H81N2+ MolecularWeight: 746.22364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CCCCCCCCCCCCCCCC)C4=CC=CC=C41

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C=C/C(=C\C=C\C2=CC=[N+](C3=CC=CC=C23)CCCCCCCCCCCCCCCC)/C4=CC=CC=C41

InChI

InChI=1S/C53H81N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-44-54-46-42-48(50-38-29-31-40-52(50)54)36-35-37-49-43-47-55(53-41-32-30-39-51(49)53)45-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35-43,46-47H,3-28,33-34,44-45H2,1-2H3/q+1