(2E)-3-heptyl-2-[(E)-3-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole

Systemtic Name: (2E)-3-heptyl-2-[(E)-3-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Openeye Name: (2E)-3-heptyl-2-[(E)-3-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole CAS Name: (2E)-3-heptyl-2-[(E)-3-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole IUPAC Name: (2E)-3-heptyl-2-[(E)-3-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Traditional Name: (2E)-3-heptyl-2-[(E)-3-(3-heptyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Formula: C31H41N2S2+ MolecularWeight: 505.80064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=CC=CC=C4S3)CCCCCCC

Isomeric SMILES

CCCCCCCN\1C2=CC=CC=C2S/C1=C/C=C/C3=[N+](C4=CC=CC=C4S3)CCCCCCC

InChI

InChI=1S/C31H41N2S2/c1-3-5-7-9-15-24-32-26-18-11-13-20-28(26)34-30(32)22-17-23-31-33(25-16-10-8-6-4-2)27-19-12-14-21-29(27)35-31/h11-14,17-23H,3-10,15-16,24-25H2,1-2H3/q+1