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

Systemtic Name: 4-[(2-fluorophenyl)methyl]-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(2-fluorophenyl)methyl]-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one CAS Name: 4-[(2-fluorophenyl)methyl]-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(2-fluorophenyl)methyl]-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one Traditional Name: 4-(2-fluorobenzyl)-1-(3-phenylpropyl)-1,4-diazepan-1-ium-5-one Formula: C21H26FN2O+ MolecularWeight: 341.442343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1=O)CC2=CC=CC=C2F)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCN(C1=O)CC2=CC=CC=C2F)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H25FN2O/c22-20-11-5-4-10-19(20)17-24-16-15-23(14-12-21(24)25)13-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-17H2/p+1