[[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylpentan-2-yl)-oxidanidyl-azaniumyl]methanoate

Systemtic Name: [[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylpentan-2-yl)-oxidanidyl-azaniumyl]methanoate Openeye Name: [1,3-dimethylbutyl-[4-(4-fluorophenyl)piperazin-1-yl]-oxido-ammonio]formate CAS Name: [[4-(4-fluorophenyl)-1-piperazinyl]-(4-methylpentan-2-yl)-oxidoammonio]formate IUPAC Name: [[4-(4-fluorophenyl)piperazin-1-yl]-(4-methylpentan-2-yl)-oxidoazaniumyl]formate Traditional Name: [1,3-dimethylbutyl-[4-(4-fluorophenyl)piperazino]-oxido-ammonio]formate Formula: C17H25FN3O3- MolecularWeight: 338.397103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)[N+](C(=O)[O-])(N1CCN(CC1)C2=CC=C(C=C2)F)[O-]

Isomeric SMILES

CC(C)CC(C)[N+](C(=O)[O-])(N1CCN(CC1)C2=CC=C(C=C2)F)[O-]

InChI

InChI=1S/C17H26FN3O3/c1-13(2)12-14(3)21(24,17(22)23)20-10-8-19(9-11-20)16-6-4-15(18)5-7-16/h4-7,13-14H,8-12H2,1-3H3,(H,22,23)/p-1