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

Systemtic Name: (2-fluoranyl-5-morpholin-4-ylsulfonyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-fluoro-5-morpholinosulfonyl-phenyl)methanone CAS Name: [2-fluoro-5-(4-morpholinylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-fluoro-5-morpholinosulfonyl-phenyl)methanone Formula: C22H27FN3O4S+ MolecularWeight: 448.530883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)F

InChI

InChI=1S/C22H26FN3O4S/c23-21-7-6-19(31(28,29)26-12-14-30-15-13-26)16-20(21)22(27)25-10-8-24(9-11-25)17-18-4-2-1-3-5-18/h1-7,16H,8-15,17H2/p+1