(3S,4R)-1-(4-methoxyphenyl)-3-methyl-4-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-dione

Systemtic Name: (3S,4R)-1-(4-methoxyphenyl)-3-methyl-4-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S,4R)-1-(4-methoxyphenyl)-3-methyl-4-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S,4R)-1-(4-methoxyphenyl)-3-methyl-4-(1-pyrrolidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S,4R)-1-(4-methoxyphenyl)-3-methyl-4-pyrrolidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S,4R)-1-(4-methoxyphenyl)-3-methyl-4-pyrrolidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(C1=O)C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

C[C@H]1[C@H](C(=O)N(C1=O)C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C16H20N2O3/c1-11-14(17-9-3-4-10-17)16(20)18(15(11)19)12-5-7-13(21-2)8-6-12/h5-8,11,14H,3-4,9-10H2,1-2H3/p+1/t11-,14+/m0/s1