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

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-veratryl-piperazin-4-ium-1-carboxamide Formula: C20H25FN3O3+ MolecularWeight: 374.429203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C20H24FN3O3/c1-26-18-8-3-15(13-19(18)27-2)14-23-9-11-24(12-10-23)20(25)22-17-6-4-16(21)5-7-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1