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

Systemtic Name: (2Z)-3-butyl-2-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-butyl-2-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazole CAS Name: (2Z)-3-butyl-2-[(E)-3-(1-ethyl-4-quinolin-1-iumyl)prop-2-enylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-butyl-2-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-butyl-2-[(E)-3-(1-ethylquinolin-1-ium-4-yl)prop-2-enylidene]-1,3-benzothiazole Formula: C25H27N2S+ MolecularWeight: 387.56028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2SC1=CC=CC3=CC=[N+](C4=CC=CC=C34)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H27N2S/c1-3-5-18-27-23-14-8-9-15-24(23)28-25(27)16-10-11-20-17-19-26(4-2)22-13-7-6-12-21(20)22/h6-17,19H,3-5,18H2,1-2H3/q+1