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

Systemtic Name: (3R)-1-(2-methyl-4-oxidanyl-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3R)-1-(4-hydroxy-2-methyl-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3R)-1-(4-hydroxy-2-methylphenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(4-hydroxy-2-methylphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3R)-1-(4-hydroxy-2-methyl-phenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)O)N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)O)N2C(=O)C[C@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C16H20N2O3/c1-11-9-12(19)5-6-13(11)18-15(20)10-14(16(18)21)17-7-3-2-4-8-17/h5-6,9,14,19H,2-4,7-8,10H2,1H3/p+1/t14-/m1/s1