2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole

Systemtic Name: 2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole Openeye Name: 2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole CAS Name: 2-(1-pyridin-1-iumylmethyl)-1,3-benzothiazole IUPAC Name: 2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole Traditional Name: 2-(pyridin-1-ium-1-ylmethyl)-1,3-benzothiazole Formula: C13H11N2S+ MolecularWeight: 227.30484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H11N2S/c1-4-8-15(9-5-1)10-13-14-11-6-2-3-7-12(11)16-13/h1-9H,10H2/q+1