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

Systemtic Name: 6-methoxy-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole Openeye Name: 6-methoxy-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole CAS Name: 6-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1H-benzimidazole IUPAC Name: 6-methoxy-2-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole Traditional Name: 6-methoxy-2-(2-pyrrolidin-1-ium-1-ylethylthio)-1H-benzimidazole Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC[NH+]3CCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC[NH+]3CCCC3

InChI

InChI=1S/C14H19N3OS/c1-18-11-4-5-12-13(10-11)16-14(15-12)19-9-8-17-6-2-3-7-17/h4-5,10H,2-3,6-9H2,1H3,(H,15,16)/p+1