2-[4-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone CAS Name: 2-[4-[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[4-(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)piperazin-1-ium-1-yl]-1-morpholino-ethanone Formula: C22H33N4O6S+ MolecularWeight: 481.58562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H32N4O6S/c1-31-19-5-4-18(16-20(19)33(29,30)26-6-2-3-7-26)22(28)25-10-8-23(9-11-25)17-21(27)24-12-14-32-15-13-24/h4-5,16H,2-3,6-15,17H2,1H3/p+1