(3S)-3-(4-methylpiperidin-1-ium-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-(4-methylpiperidin-1-ium-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-methylpiperidin-1-ium-1-yl)-1-(4-morpholinosulfonylphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-methyl-1-piperidin-1-iumyl)-1-[4-(4-morpholinylsulfonyl)phenyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-methylpiperidin-1-ium-1-yl)-1-(4-morpholin-4-ylsulfonylphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-methylpiperidin-1-ium-1-yl)-1-(4-morpholinosulfonylphenyl)pyrrolidine-2,5-quinone Formula: C20H28N3O5S+ MolecularWeight: 422.51842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C20H27N3O5S/c1-15-6-8-21(9-7-15)18-14-19(24)23(20(18)25)16-2-4-17(5-3-16)29(26,27)22-10-12-28-13-11-22/h2-5,15,18H,6-14H2,1H3/p+1/t18-/m0/s1