N-[(3-chlorophenyl)methyl]-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carboxamide Formula: C20H24ClFN3O2+ MolecularWeight: 392.874863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NCC3=CC(=CC=C3)Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NCC3=CC(=CC=C3)Cl)F

InChI

InChI=1S/C20H23ClFN3O2/c1-27-19-6-5-16(12-18(19)22)14-24-7-9-25(10-8-24)20(26)23-13-15-3-2-4-17(21)11-15/h2-6,11-12H,7-10,13-14H2,1H3,(H,23,26)/p+1