(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-fluoro-3-morpholinosulfonyl-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-fluoro-3-morpholin-4-ylsulfonylphenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-fluoro-3-morpholinosulfonyl-phenyl)-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C18H27FN3O4S+ MolecularWeight: 400.488083

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H26FN3O4S/c1-2-5-20-6-8-21(9-7-20)18(23)15-3-4-16(19)17(14-15)27(24,25)22-10-12-26-13-11-22/h3-4,14H,2,5-13H2,1H3/p+1