(3S)-1-(4-phenoxyphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-phenoxyphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-phenoxyphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-phenoxyphenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-phenoxyphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-phenoxyphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O3/c24-20-15-19(22-13-5-2-6-14-22)21(25)23(20)16-9-11-18(12-10-16)26-17-7-3-1-4-8-17/h1,3-4,7-12,19H,2,5-6,13-15H2/p+1/t19-/m0/s1