(3R)-1-(3-methoxyphenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(3-methoxyphenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-methoxyphenyl)-3-[4-(1-methylsulfonyl-4-piperidyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-methoxyphenyl)-3-[4-(1-methylsulfonyl-4-piperidinyl)-1-piperidin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-methoxyphenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(1-mesyl-4-piperidyl)piperidin-1-ium-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-quinone Formula: C22H32N3O5S+ MolecularWeight: 450.57158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C[C@H](C2=O)[NH+]3CCC(CC3)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C22H31N3O5S/c1-30-19-5-3-4-18(14-19)25-21(26)15-20(22(25)27)23-10-6-16(7-11-23)17-8-12-24(13-9-17)31(2,28)29/h3-5,14,16-17,20H,6-13,15H2,1-2H3/p+1/t20-/m1/s1