2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide Traditional Name: N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C21H25N5O4+2 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC5=C(C=C4)NC(=O)N5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC5=C(C=C4)NC(=O)N5

InChI

InChI=1S/C21H23N5O4/c27-20(22-15-2-3-16-17(10-15)24-21(28)23-16)12-26-7-5-25(6-8-26)11-14-1-4-18-19(9-14)30-13-29-18/h1-4,9-10H,5-8,11-13H2,(H,22,27)(H2,23,24,28)/p+2