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

Systemtic Name: (2Z)-3-hexadecyl-2-[(E)-3-(1-hexadecylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-hexadecyl-2-[(E)-3-(1-hexadecylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazole CAS Name: (2Z)-3-hexadecyl-2-[(E)-3-(1-hexadecyl-4-quinolin-1-iumyl)prop-2-enylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-hexadecyl-2-[(E)-3-(1-hexadecylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-cetyl-2-[(E)-3-(1-cetylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazole Formula: C51H79N2S+ MolecularWeight: 752.25136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C2=CC=CC=C2SC1=CC=CC3=CC=[N+](C4=CC=CC=C34)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN\1C2=CC=CC=C2S/C1=C\C=C\C3=CC=[N+](C4=CC=CC=C34)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C51H79N2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-43-52-45-42-46(47-37-29-30-38-48(47)52)36-35-41-51-53(49-39-31-32-40-50(49)54-51)44-34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32,35-42,45H,3-28,33-34,43-44H2,1-2H3/q+1