N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C22H25N4O4+ MolecularWeight: 409.4583

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1N2C3=CC=CC=C3NC2=O)CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O4/c27-21(23-12-15-5-6-19-20(11-15)30-14-29-19)13-25-9-7-16(8-10-25)26-18-4-2-1-3-17(18)24-22(26)28/h1-6,11,16H,7-10,12-14H2,(H,23,27)(H,24,28)/p+1