N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(4-morpholinosulfonylphenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-1-ium-1-yl]-N-(4-morpholinosulfonylbenzyl)acetamide Formula: C23H36N5O5S+ MolecularWeight: 494.62744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCN(C1)C(=O)CN2CC[NH+](CC2)CC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H35N5O5S/c29-22(18-25-9-11-26(12-10-25)19-23(30)27-7-1-2-8-27)24-17-20-3-5-21(6-4-20)34(31,32)28-13-15-33-16-14-28/h3-6H,1-2,7-19H2,(H,24,29)/p+1