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

Systemtic Name: (3R)-3-[2-oxidanylidene-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-phenethyl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-phenethyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-phenethyl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-phenethylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-keto-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4-phenethyl-piperazin-4-ium-2-one Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)CC3C(=O)NCC[NH+]3CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)C[C@@H]3C(=O)NCC[NH+]3CCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2/c29-24(28-16-12-22(13-17-28)21-9-5-2-6-10-21)19-23-25(30)26-14-18-27(23)15-11-20-7-3-1-4-8-20/h1-10,12,23H,11,13-19H2,(H,26,30)/p+1/t23-/m1/s1