2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole

Systemtic Name: 2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole Openeye Name: 2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole CAS Name: 2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1H-benzimidazole IUPAC Name: 2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole Traditional Name: 2-(2-pyrrolidin-1-ium-1-ylethylthio)-1H-benzimidazole Formula: C13H18N3S+ MolecularWeight: 248.36712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC3=CC=CC=C3N2

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C13H17N3S/c1-2-6-12-11(5-1)14-13(15-12)17-10-9-16-7-3-4-8-16/h1-2,5-6H,3-4,7-10H2,(H,14,15)/p+1