4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-prop-2-ynyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-prop-2-ynyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-fluoro-2-methoxy-phenyl)methyl]-N-prop-2-ynyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-prop-2-ynyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-prop-2-ynylpiperazin-4-ium-1-carboxamide Traditional Name: 4-(5-fluoro-2-methoxy-benzyl)-N-propargyl-piperazin-4-ium-1-carboxamide Formula: C16H21FN3O2+ MolecularWeight: 306.355243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)NCC#C

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)NCC#C

InChI

InChI=1S/C16H20FN3O2/c1-3-6-18-16(21)20-9-7-19(8-10-20)12-13-11-14(17)4-5-15(13)22-2/h1,4-5,11H,6-10,12H2,2H3,(H,18,21)/p+1