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

Systemtic Name: 4-[(3-fluorophenyl)methyl]-1-[(2R)-4-phenylbutan-2-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-[(3-fluorophenyl)methyl]-1-[(1R)-1-methyl-3-phenyl-propyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-[(3-fluorophenyl)methyl]-1-[(2R)-4-phenylbutan-2-yl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-[(3-fluorophenyl)methyl]-1-[(2R)-4-phenylbutan-2-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(3-fluorobenzyl)-1-[(1R)-1-methyl-3-phenyl-propyl]-1,4-diazepan-1-ium-5-one Formula: C22H28FN2O+ MolecularWeight: 355.468923

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH+]2CCC(=O)N(CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H27FN2O/c1-18(10-11-19-6-3-2-4-7-19)24-13-12-22(26)25(15-14-24)17-20-8-5-9-21(23)16-20/h2-9,16,18H,10-15,17H2,1H3/p+1/t18-/m1/s1