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

Systemtic Name: 4-prop-2-enyl-1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[(1R)-1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-prop-2-enyl-1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-prop-2-enyl-1-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-[(1R)-1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-1,4-diazepan-1-ium-5-one Formula: C18H24F3N2O+ MolecularWeight: 341.39117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23F3N2O/c1-3-8-23-11-10-22(9-7-17(23)24)14(2)12-15-5-4-6-16(13-15)18(19,20)21/h3-6,13-14H,1,7-12H2,2H3/p+1/t14-/m1/s1