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

Systemtic Name: (3S)-1-(4-morpholin-4-ylsulfonylphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione Openeye Name: (3S)-1-(4-morpholinosulfonylphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-dione CAS Name: (3S)-1-[4-(4-morpholinylsulfonyl)phenyl]-3-(1-piperidin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-morpholin-4-ylsulfonylphenyl)-3-piperidin-1-ium-1-ylpyrrolidine-2,5-dione Traditional Name: (3S)-1-(4-morpholinosulfonylphenyl)-3-piperidin-1-ium-1-yl-pyrrolidine-2,5-quinone Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC[NH+](CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H25N3O5S/c23-18-14-17(20-8-2-1-3-9-20)19(24)22(18)15-4-6-16(7-5-15)28(25,26)21-10-12-27-13-11-21/h4-7,17H,1-3,8-14H2/p+1/t17-/m0/s1