N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Formula: C23H26N5O5+ MolecularWeight: 452.48304

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)NC(=O)NC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)NC(=O)NC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H25N5O5/c29-21(26-22(30)24-15-5-6-19-20(13-15)33-12-11-32-19)14-27-9-7-16(8-10-27)28-18-4-2-1-3-17(18)25-23(28)31/h1-6,13,16H,7-12,14H2,(H,25,31)(H2,24,26,29,30)/p+1