3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Openeye Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propanamide CAS Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)propanamide IUPAC Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)propanamide Traditional Name: 3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)propionamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CN=CC=C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c26-21(24-14-18-3-2-10-23-13-18)7-6-17-8-11-25(12-9-17)15-19-4-1-5-20-22(19)28-16-27-20/h1-5,10,13,17H,6-9,11-12,14-16H2,(H,24,26)/p+1