(3S)-1-(3-hydroxyphenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)[C@H]3CC(=O)N(C3=O)C4=CC(=CC=C4)O

InChI

InChI=1S/C22H24N2O3/c25-19-8-4-7-18(14-19)24-21(26)15-20(22(24)27)23-11-9-17(10-12-23)13-16-5-2-1-3-6-16/h1-8,14,17,20,25H,9-13,15H2/p+1/t20-/m0/s1