(3R)-1-(2-methyl-4-oxidanyl-phenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(2-methyl-4-oxidanyl-phenyl)-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-hydroxy-2-methyl-phenyl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-hydroxy-2-methylphenyl)-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-hydroxy-2-methylphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-benzylpiperidin-1-ium-1-yl)-1-(4-hydroxy-2-methyl-phenyl)pyrrolidine-2,5-quinone Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N2O3/c1-16-13-19(26)7-8-20(16)25-22(27)15-21(23(25)28)24-11-9-18(10-12-24)14-17-5-3-2-4-6-17/h2-8,13,18,21,26H,9-12,14-15H2,1H3/p+1/t21-/m1/s1