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

Systemtic Name: (3S)-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-(2-methoxyphenyl)-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2-methoxyphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(2-methoxyphenyl)-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:

COC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C[C@@H](C2=O)[NH+]3CCCCC3

InChI

InChI=1S/C16H20N2O3/c1-21-14-8-4-3-7-12(14)18-15(19)11-13(16(18)20)17-9-5-2-6-10-17/h3-4,7-8,13H,2,5-6,9-11H2,1H3/p+1/t13-/m0/s1