3-(3-fluorophenyl)-N-phenyl-2-[1-(phenylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-(3-fluorophenyl)-N-phenyl-2-[1-(phenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 2-(1-benzylpiperazin-1-ium-1-yl)-3-(3-fluorophenyl)-N-phenyl-propanamide CAS Name: 3-(3-fluorophenyl)-N-phenyl-2-[1-(phenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 2-(1-benzylpiperazin-1-ium-1-yl)-3-(3-fluorophenyl)-N-phenylpropanamide Traditional Name: 2-(1-benzylpiperazin-1-ium-1-yl)-3-(3-fluorophenyl)-N-phenyl-propionamide Formula: C26H29FN3O+ MolecularWeight: 418.526363

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C(CC3=CC(=CC=C3)F)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C(CC3=CC(=CC=C3)F)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H28FN3O/c27-23-11-7-10-22(18-23)19-25(26(31)29-24-12-5-2-6-13-24)30(16-14-28-15-17-30)20-21-8-3-1-4-9-21/h1-13,18,25,28H,14-17,19-20H2/p+1