3-[(E)-(3-ethyl-3H-1,3-benzothiazol-3-ium-2-ylidene)methyl]isoindol-1-one chloride

Systemtic Name: 3-[(E)-(3-ethyl-3H-1,3-benzothiazol-3-ium-2-ylidene)methyl]isoindol-1-one chloride Openeye Name: 3-[(E)-(3-ethyl-3H-1,3-benzothiazol-3-ium-2-ylidene)methyl]isoindol-1-one chloride CAS Name: 3-[(E)-(3-ethyl-3H-1,3-benzothiazol-3-ium-2-ylidene)methyl]-1-isoindolone chloride IUPAC Name: 3-[(E)-(3-ethyl-3H-1,3-benzothiazol-3-ium-2-ylidene)methyl]isoindol-1-one chloride Traditional Name: 3-[(E)-(3-ethyl-3H-1,3-benzothiazol-3-ium-2-ylidene)methyl]isoindol-1-one chloride Formula: C18H15ClN2OS MolecularWeight: 342.8425

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C2=CC=CC=C2SC1=CC3=NC(=O)C4=CC=CC=C43.[Cl-]

Isomeric SMILES

CC[NH+]\1C2=CC=CC=C2S/C1=C/C3=NC(=O)C4=CC=CC=C43.[Cl-]

InChI

InChI=1S/C18H14N2OS.ClH/c1-2-20-15-9-5-6-10-16(15)22-17(20)11-14-12-7-3-4-8-13(12)18(21)19-14;/h3-11H,2H2,1H3;1H/b17-11+;