2-[4-(4-morpholin-4-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-morpholin-4-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-morpholinosulfonylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-morpholin-4-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-morpholinosulfonylbenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H31N4O5S+ MolecularWeight: 451.55964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H30N4O5S/c26-20(23-7-1-2-8-23)17-22-9-11-24(12-10-22)21(27)18-3-5-19(6-4-18)31(28,29)25-13-15-30-16-14-25/h3-6H,1-2,7-17H2/p+1