2-[4-(6-ethoxy-1H-benzimidazol-2-yl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(6-ethoxy-1H-benzimidazol-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(6-ethoxy-1H-benzimidazol-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(6-ethoxy-1H-benzimidazol-2-yl)-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-(6-ethoxy-1H-benzimidazol-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(6-ethoxy-1H-benzimidazol-2-yl)piperazin-1-ium-1-yl]acetate Formula: C15H20N4O3 MolecularWeight: 304.3443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)N3CC[NH+](CC3)CC(=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)N3CC[NH+](CC3)CC(=O)[O-]

InChI

InChI=1S/C15H20N4O3/c1-2-22-11-3-4-12-13(9-11)17-15(16-12)19-7-5-18(6-8-19)10-14(20)21/h3-4,9H,2,5-8,10H2,1H3,(H,16,17)(H,20,21)