[4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-[2-(2-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [4-[2-(2-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[2-(2-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C23H29ClN3O4S+ MolecularWeight: 479.01206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4Cl

InChI

InChI=1S/C23H28ClN3O4S/c24-21-5-1-2-6-22(21)31-18-17-25-13-15-26(16-14-25)23(28)19-7-9-20(10-8-19)32(29,30)27-11-3-4-12-27/h1-2,5-10H,3-4,11-18H2/p+1