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

Systemtic Name: 1-[(Z)-2-chloranyl-3-phenyl-prop-2-enyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(Z)-2-chloro-3-phenyl-allyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(Z)-2-chloro-3-phenylprop-2-enyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(Z)-2-chloro-3-phenyl-allyl]-4-(4-fluorobenzyl)-1,4-diazepan-1-ium-5-one Formula: C21H23ClFN2O+ MolecularWeight: 373.871523

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=C(C=C2)F)CC(=CC3=CC=CC=C3)Cl

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=C(C=C2)F)C/C(=C/C3=CC=CC=C3)/Cl

InChI

InChI=1S/C21H22ClFN2O/c22-19(14-17-4-2-1-3-5-17)16-24-11-10-21(26)25(13-12-24)15-18-6-8-20(23)9-7-18/h1-9,14H,10-13,15-16H2/p+1/b19-14-