2-piperidin-1-ium-4-ylsulfanyl-1H-benzimidazole

Systemtic Name: 2-piperidin-1-ium-4-ylsulfanyl-1H-benzimidazole Openeye Name: 2-piperidin-1-ium-4-ylsulfanyl-1H-benzimidazole CAS Name: 2-(4-piperidin-1-iumylthio)-1H-benzimidazole IUPAC Name: 2-piperidin-1-ium-4-ylsulfanyl-1H-benzimidazole Traditional Name: 2-(piperidin-1-ium-4-ylthio)-1H-benzimidazole Formula: C12H16N3S+ MolecularWeight: 234.34054

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1SC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1C[NH2+]CCC1SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C12H15N3S/c1-2-4-11-10(3-1)14-12(15-11)16-9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,15)/p+1