(1-oxidanidylpyridin-1-ium-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methanone

Systemtic Name: (1-oxidanidylpyridin-1-ium-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methanone Openeye Name: (1-oxidopyridin-1-ium-4-yl)-[(3R)-3-[1-(3-pyridylmethyl)-4-piperidyl]pyrrolidin-1-yl]methanone CAS Name: (1-oxido-4-pyridin-1-iumyl)-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidinyl]-1-pyrrolidinyl]methanone IUPAC Name: (1-oxidopyridin-1-ium-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]methanone Traditional Name: (1-oxidopyridin-1-ium-4-yl)-[(3R)-3-[1-(3-pyridylmethyl)-4-piperidyl]pyrrolidino]methanone Formula: C21H26N4O2 MolecularWeight: 366.45674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2CCN(C2)C(=O)C3=CC=[N+](C=C3)[O-])CC4=CN=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CCN(CC2)CC3=CN=CC=C3)C(=O)C4=CC=[N+](C=C4)[O-]

InChI

InChI=1S/C21H26N4O2/c26-21(19-6-12-25(27)13-7-19)24-11-5-20(16-24)18-3-9-23(10-4-18)15-17-2-1-8-22-14-17/h1-2,6-8,12-14,18,20H,3-5,9-11,15-16H2/t20-/m0/s1