1-[(3-fluorophenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(3-fluorophenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[(3-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(3-fluorophenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(3-fluorophenyl)methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-(3-fluorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C15H20FN2O+ MolecularWeight: 263.330503

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CC[NH+](CCC1=O)CC2=CC(=CC=C2)F

Isomeric SMILES

C=CCN1CC[NH+](CCC1=O)CC2=CC(=CC=C2)F

InChI

InChI=1S/C15H19FN2O/c1-2-7-18-10-9-17(8-6-15(18)19)12-13-4-3-5-14(16)11-13/h2-5,11H,1,6-10,12H2/p+1