2-piperidin-1-ium-4-ylsulfanyl-1,3-benzothiazole

Systemtic Name: 2-piperidin-1-ium-4-ylsulfanyl-1,3-benzothiazole Openeye Name: 2-piperidin-1-ium-4-ylsulfanyl-1,3-benzothiazole CAS Name: 2-(4-piperidin-1-iumylthio)-1,3-benzothiazole IUPAC Name: 2-piperidin-1-ium-4-ylsulfanyl-1,3-benzothiazole Traditional Name: 2-(piperidin-1-ium-4-ylthio)-1,3-benzothiazole Formula: C12H15N2S2+ MolecularWeight: 251.3909

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1SC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C[NH2+]CCC1SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C12H14N2S2/c1-2-4-11-10(3-1)14-12(16-11)15-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2/p+1