1-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-2-pyridin-2-yl-ethanone

Systemtic Name: 1-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-2-pyridin-2-yl-ethanone Openeye Name: 1-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-2-(2-pyridyl)ethanone CAS Name: 1-[(3R)-3-(1-phenethyl-4-piperidin-1-iumyl)-1-pyrrolidinyl]-2-(2-pyridinyl)ethanone IUPAC Name: 1-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-2-pyridin-2-ylethanone Traditional Name: 1-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidino]-2-(2-pyridyl)ethanone Formula: C24H32N3O+ MolecularWeight: 378.53038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)CC3=CC=CC=N3)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)CC4=CC=CC=N4

InChI

InChI=1S/C24H31N3O/c28-24(18-23-8-4-5-13-25-23)27-17-12-22(19-27)21-10-15-26(16-11-21)14-9-20-6-2-1-3-7-20/h1-8,13,21-22H,9-12,14-19H2/p+1/t22-/m0/s1