(3R)-3-[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(2-pyridylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(2-pyridinylmethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-(2-pyridylmethyl)piperazin-4-ium-2-one Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)CC3C(=O)NCC[NH+]3CC4=CC=CC=N4

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CC4=CC=CC=N4

InChI

InChI=1S/C23H26N4O2/c28-22(26-13-9-19(10-14-26)18-6-2-1-3-7-18)16-21-23(29)25-12-15-27(21)17-20-8-4-5-11-24-20/h1-9,11,21H,10,12-17H2,(H,25,29)/p+1/t21-/m1/s1