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

Systemtic Name: 4-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3-fluoro-4-methoxy-phenyl)methyl]-N-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(3-fluoro-4-methoxy-benzyl)-N-(4-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H26FN3O2/c1-16-3-5-17(6-4-16)14-23-21(26)25-11-9-24(10-12-25)15-18-7-8-20(27-2)19(22)13-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,26)/p+1