4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2-fluorobenzyl)-4-veratryl-piperazin-4-ium-1-carboxamide Formula: C21H27FN3O3+ MolecularWeight: 388.455783

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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=C3F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3F)OC

InChI

InChI=1S/C21H26FN3O3/c1-27-19-8-7-16(13-20(19)28-2)15-24-9-11-25(12-10-24)21(26)23-14-17-5-3-4-6-18(17)22/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)/p+1