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

Systemtic Name: N-(3-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3-chlorophenyl)-4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorophenyl)-4-(3-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C18H20ClFN3O+ MolecularWeight: 348.822303

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H19ClFN3O/c19-15-4-2-6-17(12-15)21-18(24)23-9-7-22(8-10-23)13-14-3-1-5-16(20)11-14/h1-6,11-12H,7-10,13H2,(H,21,24)/p+1