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

Systemtic Name: 1,3-diethyl-5-nitro-6-piperazin-4-ium-1-yl-benzimidazol-2-one Openeye Name: 1,3-diethyl-5-nitro-6-piperazin-4-ium-1-yl-benzimidazol-2-one CAS Name: 1,3-diethyl-5-nitro-6-(1-piperazin-4-iumyl)-2-benzimidazolone IUPAC Name: 1,3-diethyl-5-nitro-6-piperazin-4-ium-1-ylbenzimidazol-2-one Traditional Name: 1,3-diethyl-5-nitro-6-piperazin-4-ium-1-yl-benzimidazol-2-one Formula: C15H22N5O3+ MolecularWeight: 320.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2N(C1=O)CC)[N+](=O)[O-])N3CC[NH2+]CC3

Isomeric SMILES

CCN1C2=CC(=C(C=C2N(C1=O)CC)[N+](=O)[O-])N3CC[NH2+]CC3

InChI

InChI=1S/C15H21N5O3/c1-3-18-12-9-11(17-7-5-16-6-8-17)14(20(22)23)10-13(12)19(4-2)15(18)21/h9-10,16H,3-8H2,1-2H3/p+1