tert-butyl-[3-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]propyl]azanium

Systemtic Name: tert-butyl-[3-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]carbonylamino]propyl]azanium Openeye Name: tert-butyl-[3-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propyl]ammonium CAS Name: tert-butyl-[3-[[[1-(4-fluorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propyl]ammonium IUPAC Name: tert-butyl-[3-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]propyl]azanium Traditional Name: tert-butyl-[3-[[1-(4-fluorophenyl)sulfonylisonipecotoyl]amino]propyl]ammonium Formula: C19H31FN3O3S+ MolecularWeight: 400.531143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)[NH2+]CCCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H30FN3O3S/c1-19(2,3)22-12-4-11-21-18(24)15-9-13-23(14-10-15)27(25,26)17-7-5-16(20)6-8-17/h5-8,15,22H,4,9-14H2,1-3H3,(H,21,24)/p+1