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

Systemtic Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O3/c27-21(23-12-15-5-6-19-20(11-15)29-14-28-19)13-26-9-7-16(8-10-26)22-24-17-3-1-2-4-18(17)25-22/h1-6,11,16H,7-10,12-14H2,(H,23,27)(H,24,25)/p+1