4-(pyridin-3-ylmethoxy)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-(pyridin-3-ylmethoxy)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-(3-pyridylmethoxy)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-(3-pyridinylmethoxy)-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 4-(pyridin-3-ylmethoxy)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-(3-pyridylmethoxy)-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]benzamide Formula: C23H25N4O2+ MolecularWeight: 389.4702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)OCC4=CN=CC=C4

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)C3=CC=C(C=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C23H24N4O2/c28-23(26-16-18-5-10-22(25-15-18)27-12-1-2-13-27)20-6-8-21(9-7-20)29-17-19-4-3-11-24-14-19/h3-11,14-15H,1-2,12-13,16-17H2,(H,26,28)/p+1