1-(3-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-(3-fluorobenzyl)piperazin-4-ium Formula: C17H19ClFN2+ MolecularWeight: 305.797563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H18ClFN2/c18-15-4-2-6-17(12-15)21-9-7-20(8-10-21)13-14-3-1-5-16(19)11-14/h1-6,11-12H,7-10,13H2/p+1