(3S)-1-(4-methoxyphenyl)-3-(4-oxidanylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(4-methoxyphenyl)-3-(4-oxidanylpiperidin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-hydroxy-1-piperidin-1-iumyl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-hydroxypiperidin-1-ium-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C16H21N2O4+ MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)O

InChI

InChI=1S/C16H20N2O4/c1-22-13-4-2-11(3-5-13)18-15(20)10-14(16(18)21)17-8-6-12(19)7-9-17/h2-5,12,14,19H,6-10H2,1H3/p+1/t14-/m0/s1