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

Systemtic Name: 1-[(2R)-1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2R)-1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2R)-1-(4-fluorophenyl)propan-2-yl]-4-methyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]-4-methyl-1,4-diazepan-1-ium-5-one Formula: C15H22FN2O+ MolecularWeight: 265.346383

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)F)[NH+]2CCC(=O)N(CC2)C

Isomeric SMILES

C[C@H](CC1=CC=C(C=C1)F)[NH+]2CCC(=O)N(CC2)C

InChI

InChI=1S/C15H21FN2O/c1-12(11-13-3-5-14(16)6-4-13)18-8-7-15(19)17(2)9-10-18/h3-6,12H,7-11H2,1-2H3/p+1/t12-/m1/s1