3H-benzimidazol-5-yl(piperazin-4-ium-1-yl)methanone

Systemtic Name: 3H-benzimidazol-5-yl(piperazin-4-ium-1-yl)methanone Openeye Name: 3H-benzimidazol-5-yl(piperazin-4-ium-1-yl)methanone CAS Name: 3H-benzimidazol-5-yl(1-piperazin-4-iumyl)methanone IUPAC Name: 3H-benzimidazol-5-yl(piperazin-4-ium-1-yl)methanone Traditional Name: 3H-benzimidazol-5-yl(piperazin-4-ium-1-yl)methanone Formula: C12H15N4O+ MolecularWeight: 231.2737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C12H14N4O/c17-12(16-5-3-13-4-6-16)9-1-2-10-11(7-9)15-8-14-10/h1-2,7-8,13H,3-6H2,(H,14,15)/p+1