[3-fluoranyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]phenyl]carbamic acid

Systemtic Name: [3-fluoranyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]phenyl]carbamic acid Openeye Name: [4-(1-tert-butoxycarbonylpiperazin-1-ium-1-yl)-3-fluoro-phenyl]carbamic acid CAS Name: [3-fluoro-4-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]phenyl]carbamic acid IUPAC Name: [3-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]phenyl]carbamic acid Traditional Name: [4-(1-tert-butoxycarbonylpiperazin-1-ium-1-yl)-3-fluoro-phenyl]carbamic acid Formula: C16H23FN3O4+ MolecularWeight: 340.369923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=C(C=C2)NC(=O)O)F

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=C(C=C2)NC(=O)O)F

InChI

InChI=1S/C16H22FN3O4/c1-16(2,3)24-15(23)20(8-6-18-7-9-20)13-5-4-11(10-12(13)17)19-14(21)22/h4-5,10,18-19H,6-9H2,1-3H3/p+1