[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-[2-hydroxy-5-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C23H29ClN3O5S+ MolecularWeight: 495.01146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)N3CC[NH+](CC3)CCOC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)N3CC[NH+](CC3)CCOC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H28ClN3O5S/c24-18-3-5-19(6-4-18)32-16-15-25-11-13-26(14-12-25)23(29)21-17-20(7-8-22(21)28)33(30,31)27-9-1-2-10-27/h3-8,17,28H,1-2,9-16H2/p+1