5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one

Systemtic Name: 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one Openeye Name: 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one CAS Name: 5-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-1,3-dimethyl-6-nitro-2-benzimidazolone IUPAC Name: 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-6-nitrobenzimidazol-2-one Traditional Name: 5-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-6-nitro-benzimidazol-2-one Formula: C15H22N5O4+ MolecularWeight: 336.36628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CC[NH+](CC3)CCO

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CC[NH+](CC3)CCO

InChI

InChI=1S/C15H21N5O4/c1-16-11-9-13(19-5-3-18(4-6-19)7-8-21)14(20(23)24)10-12(11)17(2)15(16)22/h9-10,21H,3-8H2,1-2H3/p+1