(3S)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-phenyl-3-[(1R)-2-(1-piperidin-1-iumyl)-1-cyclohex-2-enyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-dione Traditional Name: (3S)-1-phenyl-3-[(1R)-2-piperidin-1-ium-1-ylcyclohex-2-en-1-yl]pyrrolidine-2,5-quinone Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=CCCCC2C3CC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)C2=CCCC[C@@H]2[C@@H]3CC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H26N2O2/c24-20-15-18(21(25)23(20)16-9-3-1-4-10-16)17-11-5-6-12-19(17)22-13-7-2-8-14-22/h1,3-4,9-10,12,17-18H,2,5-8,11,13-15H2/p+1/t17-,18+/m1/s1