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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CCCCCCCCCCCCCCCC)C=CC4=CC=CC=C41

Isomeric SMILES

CCCCCCCCCCCCCCCCN1/C(=C/C=C/C2=[N+](C3=CC=CC=C3C=C2)CCCCCCCCCCCCCCCC)/C=CC4=CC=CC=C41

InChI

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