(2E)-3-ethyl-2-[(E)-3-(1-methoxypyridin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole

Systemtic Name: (2E)-3-ethyl-2-[(E)-3-(1-methoxypyridin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Openeye Name: (2E)-3-ethyl-2-[(E)-3-(1-methoxypyridin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole CAS Name: (2E)-3-ethyl-2-[(E)-3-(1-methoxy-2-pyridin-1-iumyl)prop-2-enylidene]-1,3-benzothiazole IUPAC Name: (2E)-3-ethyl-2-[(E)-3-(1-methoxypyridin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Traditional Name: (2E)-3-ethyl-2-[(E)-3-(1-methoxypyridin-1-ium-2-yl)prop-2-enylidene]-1,3-benzothiazole Formula: C18H19N2OS+ MolecularWeight: 311.42126

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC=CC3=CC=CC=[N+]3OC

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C=C/C3=CC=CC=[N+]3OC

InChI

InChI=1S/C18H19N2OS/c1-3-19-16-11-4-5-12-17(16)22-18(19)13-8-10-15-9-6-7-14-20(15)21-2/h4-14H,3H2,1-2H3/q+1