N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(6-pyrrolidinopyridin-1-ium-3-yl)-piperonylamide Formula: C17H18N3O3+ MolecularWeight: 312.34312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17N3O3/c21-17(12-3-5-14-15(9-12)23-11-22-14)19-13-4-6-16(18-10-13)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8,11H2,(H,19,21)/p+1