2-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-methyl-5-nitro-benzimidazole

Systemtic Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-methyl-5-nitro-benzimidazole Openeye Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-methyl-5-nitro-benzimidazole CAS Name: 2-[2-(4-ethyl-1-piperazin-4-iumyl)ethyl]-1-methyl-5-nitrobenzimidazole IUPAC Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-methyl-5-nitrobenzimidazole Traditional Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)ethyl]-1-methyl-5-nitro-benzimidazole Formula: C16H24N5O2+ MolecularWeight: 318.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)CCC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O2/c1-3-19-8-10-20(11-9-19)7-6-16-17-14-12-13(21(22)23)4-5-15(14)18(16)2/h4-5,12H,3,6-11H2,1-2H3/p+1