2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]ethanal

Systemtic Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]ethanal Openeye Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde CAS Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde IUPAC Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde Traditional Name: 2-[2-(3-methoxyphenyl)-1,3-benzothiazol-3-ium-3-yl]acetaldehyde Formula: C16H14NO2S+ MolecularWeight: 284.35286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=[N+](C3=CC=CC=C3S2)CC=O

Isomeric SMILES

COC1=CC=CC(=C1)C2=[N+](C3=CC=CC=C3S2)CC=O

InChI

InChI=1S/C16H14NO2S/c1-19-13-6-4-5-12(11-13)16-17(9-10-18)14-7-2-3-8-15(14)20-16/h2-8,10-11H,9H2,1H3/q+1