2-[1-[(6-nitro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-[(6-nitro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-[1-[(6-nitro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole CAS Name: 2-[1-[(6-nitro-1H-benzimidazol-2-yl)methyl]-4-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-[(6-nitro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Traditional Name: 2-[1-[(6-nitro-1H-benzimidazol-2-yl)methyl]piperidin-1-ium-4-yl]-1,3-benzothiazole Formula: C20H20N5O2S+ MolecularWeight: 394.4701

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O2S/c26-25(27)14-5-6-15-17(11-14)22-19(21-15)12-24-9-7-13(8-10-24)20-23-16-3-1-2-4-18(16)28-20/h1-6,11,13H,7-10,12H2,(H,21,22)/p+1