N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]-piperonylamide Formula: C22H25N4O3+ MolecularWeight: 393.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O3/c27-21(16-8-9-19-20(14-16)29-15-28-19)24-22-23-17-6-2-3-7-18(17)26(22)13-12-25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13,15H2,(H,23,24,27)/p+1