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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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