3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]-1-pyrrolidino-propan-1-one Formula: C18H28N3O+ MolecularWeight: 302.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCC2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CCC2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C18H27N3O/c22-18(21-11-1-2-12-21)4-3-16-7-13-20(14-8-16)15-17-5-9-19-10-6-17/h5-6,9-10,16H,1-4,7-8,11-15H2/p+1