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

Systemtic Name: (E)-1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-one CAS Name: (E)-1-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-one IUPAC Name: (E)-1-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-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=C(C=C2)F)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O/c21-19-9-6-18(7-10-19)16-22-12-14-23(15-13-22)20(24)11-8-17-4-2-1-3-5-17/h1-11H,12-16H2/p+1/b11-8+