ethyl 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]acetate CAS Name: 2-[[2-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]acetate Traditional Name: 2-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]acetic acid ethyl ester Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)CNC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H24N4O3/c1-2-25-17(24)11-19-16(23)12-22-9-7-13(8-10-22)18-20-14-5-3-4-6-15(14)21-18/h3-6,13H,2,7-12H2,1H3,(H,19,23)(H,20,21)/p+1