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

Systemtic Name: N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(1-piperidin-1-iumylmethyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-piperonylamide Formula: C20H23N2O3+ MolecularWeight: 339.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O3/c23-20(16-6-9-18-19(12-16)25-14-24-18)21-17-7-4-15(5-8-17)13-22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13-14H2,(H,21,23)/p+1