(3R)-3-(2-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-phenyl-propan-1-one

Systemtic Name: (3R)-3-(2-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-phenyl-propan-1-one Openeye Name: (3R)-3-(2-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-phenyl-propan-1-one CAS Name: (3R)-3-(2-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-phenyl-1-propanone IUPAC Name: (3R)-3-(2-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-phenylpropan-1-one Traditional Name: (3R)-3-(2-fluorophenyl)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-phenyl-propan-1-one Formula: C21H26FN2O+ MolecularWeight: 341.442343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C[C@H](C2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O/c1-23-12-7-13-24(15-14-23)21(25)16-19(17-8-3-2-4-9-17)18-10-5-6-11-20(18)22/h2-6,8-11,19H,7,12-16H2,1H3/p+1/t19-/m1/s1