2-(4-phenylpiperidin-1-ium-1-yl)-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-(4-phenylpiperidin-1-ium-1-yl)-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-(4-phenylpiperidin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]-2-(4-phenyl-1-piperidin-1-iumyl)ethanone IUPAC Name: 2-(4-phenylpiperidin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-(4-phenylpiperidin-1-ium-1-yl)-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C22H28N3O2+ MolecularWeight: 366.47662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)C[NH+]3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O2/c26-21(19-14-20(23-15-19)22(27)25-10-4-5-11-25)16-24-12-8-18(9-13-24)17-6-2-1-3-7-17/h1-3,6-7,14-15,18,23H,4-5,8-13,16H2/p+1