2-[5-(4-ethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole

Systemtic Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole Openeye Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole CAS Name: 2-[[5-(4-ethyl-1-piperazin-4-iumyl)-2-nitrophenyl]thio]-1H-benzimidazole IUPAC Name: 2-[5-(4-ethylpiperazin-4-ium-1-yl)-2-nitrophenyl]sulfanyl-1H-benzimidazole Traditional Name: 2-[[5-(4-ethylpiperazin-4-ium-1-yl)-2-nitro-phenyl]thio]-1H-benzimidazole Formula: C19H22N5O2S+ MolecularWeight: 384.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H21N5O2S/c1-2-22-9-11-23(12-10-22)14-7-8-17(24(25)26)18(13-14)27-19-20-15-5-3-4-6-16(15)21-19/h3-8,13H,2,9-12H2,1H3,(H,20,21)/p+1