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

Systemtic Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole Openeye Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]sulfanyl-1H-benzimidazole CAS Name: 2-[[5-(4-methyl-1-piperazin-4-iumyl)-2-nitrophenyl]thio]-1H-benzimidazole IUPAC Name: 2-[5-(4-methylpiperazin-4-ium-1-yl)-2-nitrophenyl]sulfanyl-1H-benzimidazole Traditional Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)-2-nitro-phenyl]thio]-1H-benzimidazole Formula: C18H20N5O2S+ MolecularWeight: 370.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S/c1-21-8-10-22(11-9-21)13-6-7-16(23(24)25)17(12-13)26-18-19-14-4-2-3-5-15(14)20-18/h2-7,12H,8-11H2,1H3,(H,19,20)/p+1