(2-fluoranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-fluoranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-fluoro-5-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: [2-fluoro-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-fluoro-5-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-fluoro-5-pyrrolidinosulfonyl-phenyl)methanone Formula: C22H27FN3O3S+ MolecularWeight: 432.531483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)F)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26FN3O3S/c23-21-9-8-19(30(28,29)26-10-4-5-11-26)16-20(21)22(27)25-14-12-24(13-15-25)17-18-6-2-1-3-7-18/h1-3,6-9,16H,4-5,10-15,17H2/p+1