(3R)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-1-(4-phenoxyphenyl)pyrrolidine-2,5-quinone Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3/c1-16-6-5-13-23(15-16)20-14-21(25)24(22(20)26)17-9-11-19(12-10-17)27-18-7-3-2-4-8-18/h2-4,7-12,16,20H,5-6,13-15H2,1H3/p+1/t16-,20+/m0/s1