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

Systemtic Name: N-(3,4-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3,4-dimethylphenyl)-4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3,4-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-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:

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

Isomeric SMILES

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

InChI

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