2-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-propoxy-buta-1,3-dienyl]phenol

Systemtic Name: 2-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-propoxy-buta-1,3-dienyl]phenol Openeye Name: 2-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-propoxy-buta-1,3-dienyl]phenol CAS Name: 2-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-propoxybuta-1,3-dienyl]phenol IUPAC Name: 2-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-propoxybuta-1,3-dienyl]phenol Traditional Name: 2-[4-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-1-propoxy-buta-1,3-dienyl]phenol Formula: C22H24NO2S+ MolecularWeight: 366.49646

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=CC=CC1=[N+](C2=CC=CC=C2S1)CC)C3=CC=CC=C3O

Isomeric SMILES

CCCOC(=CC=CC1=[N+](C2=CC=CC=C2S1)CC)C3=CC=CC=C3O

InChI

InChI=1S/C22H23NO2S/c1-3-16-25-20(17-10-5-7-12-19(17)24)13-9-15-22-23(4-2)18-11-6-8-14-21(18)26-22/h5-15H,3-4,16H2,1-2H3/p+1