(E)-3-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-propen-1-one IUPAC Name: (E)-3-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)prop-2-en-1-one Formula: C15H20FN2O+ MolecularWeight: 263.330503

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C15H19FN2O/c1-17-9-2-10-18(12-11-17)15(19)8-5-13-3-6-14(16)7-4-13/h3-8H,2,9-12H2,1H3/p+1/b8-5+