(3S)-1-(phenylmethyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(phenylmethyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-benzyl-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(phenylmethyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-benzyl-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-benzyl-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N2O2/c19-15-11-14(17-9-5-2-6-10-17)16(20)18(15)12-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2/p+1/t14-/m0/s1