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

Systemtic Name: N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

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