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

Systemtic Name: 4-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-benzyl-4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-benzyl-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-benzyl-4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carboxamide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O2/c1-26-19-8-7-17(13-18(19)21)15-23-9-11-24(12-10-23)20(25)22-14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+1