N-(3-fluorophenyl)-4-methyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3-fluorophenyl)-4-methyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(3-fluorophenyl)-4-methyl-piperazin-4-ium-1-carboxamide CAS Name: N-(3-fluorophenyl)-4-methyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-fluorophenyl)-4-methylpiperazin-4-ium-1-carboxamide Traditional Name: N-(3-fluorophenyl)-4-methyl-piperazin-4-ium-1-carboxamide Formula: C12H17FN3O+ MolecularWeight: 238.281283

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2=CC(=CC=C2)F

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)NC2=CC(=CC=C2)F

InChI

InChI=1S/C12H16FN3O/c1-15-5-7-16(8-6-15)12(17)14-11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3,(H,14,17)/p+1