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

Systemtic Name: N-(4-ethylphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-ethylphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-ethylphenyl)-4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-ethylphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(4-ethylphenyl)-4-(3-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H24FN3O/c1-2-16-6-8-19(9-7-16)22-20(25)24-12-10-23(11-13-24)15-17-4-3-5-18(21)14-17/h3-9,14H,2,10-13,15H2,1H3,(H,22,25)/p+1