N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-piperonylamide Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O4/c24-21(16-4-9-19-20(14-16)27-15-26-19)22-17-5-7-18(8-6-17)25-13-12-23-10-2-1-3-11-23/h4-9,14H,1-3,10-13,15H2,(H,22,24)/p+1