5,6-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole

Systemtic Name: 5,6-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole Openeye Name: 5,6-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole CAS Name: 5,6-dimethyl-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1H-benzimidazole IUPAC Name: 5,6-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole Traditional Name: 5,6-dimethyl-2-(2-pyrrolidin-1-ium-1-ylethylthio)-1H-benzimidazole Formula: C15H22N3S+ MolecularWeight: 276.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCC[NH+]3CCCC3

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC[NH+]3CCCC3

InChI

InChI=1S/C15H21N3S/c1-11-9-13-14(10-12(11)2)17-15(16-13)19-8-7-18-5-3-4-6-18/h9-10H,3-8H2,1-2H3,(H,16,17)/p+1