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

Systemtic Name: 2-[4-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H33N4O5S+ MolecularWeight: 465.58622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H32N4O5S/c1-31-19-7-6-18(16-20(19)32(29,30)26-10-4-5-11-26)22(28)25-14-12-23(13-15-25)17-21(27)24-8-2-3-9-24/h6-7,16H,2-5,8-15,17H2,1H3/p+1