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

Systemtic Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3N2)CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O3/c26-20(22-15-5-6-18-19(11-15)28-13-27-18)12-25-9-7-14(8-10-25)21-23-16-3-1-2-4-17(16)24-21/h1-6,11,14H,7-10,12-13H2,(H,22,26)(H,23,24)/p+1