1,3-dimethyl-5-nitro-6-piperazin-4-ium-1-yl-benzimidazol-2-one

Systemtic Name: 1,3-dimethyl-5-nitro-6-piperazin-4-ium-1-yl-benzimidazol-2-one Openeye Name: 1,3-dimethyl-5-nitro-6-piperazin-4-ium-1-yl-benzimidazol-2-one CAS Name: 1,3-dimethyl-5-nitro-6-(1-piperazin-4-iumyl)-2-benzimidazolone IUPAC Name: 1,3-dimethyl-5-nitro-6-piperazin-4-ium-1-ylbenzimidazol-2-one Traditional Name: 1,3-dimethyl-5-nitro-6-piperazin-4-ium-1-yl-benzimidazol-2-one Formula: C13H18N5O3+ MolecularWeight: 292.31372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CC[NH2+]CC3

Isomeric SMILES

CN1C2=CC(=C(C=C2N(C1=O)C)[N+](=O)[O-])N3CC[NH2+]CC3

InChI

InChI=1S/C13H17N5O3/c1-15-9-7-11(17-5-3-14-4-6-17)12(18(20)21)8-10(9)16(2)13(15)19/h7-8,14H,3-6H2,1-2H3/p+1