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

Systemtic Name: N-(4-ethoxyphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-ethoxyphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-ethoxyphenyl)-4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(3-fluorobenzyl)-N-p-phenetyl-piperazin-4-ium-1-carboxamide Formula: C20H25FN3O2+ MolecularWeight: 358.429803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3O2/c1-2-26-19-8-6-18(7-9-19)22-20(25)24-12-10-23(11-13-24)15-16-4-3-5-17(21)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)/p+1