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

Systemtic Name: 4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-fluoro-2-methoxy-phenyl)methyl]-N-(2-furylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(2-furanylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(furan-2-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-fluoro-2-methoxy-benzyl)-N-(2-furfuryl)piperazin-4-ium-1-carboxamide Formula: C18H23FN3O3+ MolecularWeight: 348.391923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C18H22FN3O3/c1-24-17-5-4-15(19)11-14(17)13-21-6-8-22(9-7-21)18(23)20-12-16-3-2-10-25-16/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,23)/p+1