2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C18H19N6O3S+ MolecularWeight: 399.44686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O3S/c25-17(23-9-7-22(8-10-23)16-3-1-2-6-19-16)12-28-18-20-14-5-4-13(24(26)27)11-15(14)21-18/h1-6,11H,7-10,12H2,(H,20,21)/p+1