2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)ethanamide Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide Traditional Name: N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-(4-o-phenetylpiperazin-1-ium-1-yl)acetamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C21H25N5O3/c1-2-29-19-6-4-3-5-18(19)26-11-9-25(10-12-26)14-20(27)22-15-7-8-16-17(13-15)24-21(28)23-16/h3-8,13H,2,9-12,14H2,1H3,(H,22,27)(H2,23,24,28)/p+1