(E)-1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Formula: C20H22FN2O+ MolecularWeight: 325.399883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O/c21-19-8-4-7-18(15-19)16-22-11-13-23(14-12-22)20(24)10-9-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2/p+1/b10-9+