(3R)-1-(phenylmethyl)-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(phenylmethyl)-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-benzyl-3-[4-(4-pyridyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(phenylmethyl)-3-(4-pyridin-4-yl-1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-benzyl-3-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-benzyl-3-[4-(4-pyridyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=NC=C2)C3CC(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=CC=NC=C2)[C@@H]3CC(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2/c25-20-14-19(21(26)24(20)15-16-4-2-1-3-5-16)23-12-8-18(9-13-23)17-6-10-22-11-7-17/h1-7,10-11,18-19H,8-9,12-15H2/p+1/t19-/m1/s1