4-methyl-1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 4-methyl-1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-methyl-1-[(1R)-1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-methyl-1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-methyl-1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-methyl-1-[(1R)-1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-1,4-diazepan-1-ium-5-one Formula: C16H22F3N2O+ MolecularWeight: 315.35389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21F3N2O/c1-12(21-7-6-15(22)20(2)8-9-21)10-13-4-3-5-14(11-13)16(17,18)19/h3-5,11-12H,6-10H2,1-2H3/p+1/t12-/m1/s1