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

Systemtic Name: 5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole Openeye Name: 5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole CAS Name: 5,6-dimethyl-2-[2-(1-piperidin-1-iumyl)ethylthio]-1H-benzimidazole IUPAC Name: 5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)-1H-benzimidazole Traditional Name: 5,6-dimethyl-2-(2-piperidin-1-ium-1-ylethylthio)-1H-benzimidazole Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC[NH+]3CCCCC3

InChI

InChI=1S/C16H23N3S/c1-12-10-14-15(11-13(12)2)18-16(17-14)20-9-8-19-6-4-3-5-7-19/h10-11H,3-9H2,1-2H3,(H,17,18)/p+1