1,4-dithiepan-6-yl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]azanium Openeye Name: 1,4-dithiepan-6-yl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium CAS Name: 1,4-dithiepan-6-yl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-4-pyrazolyl]ethyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]azanium Traditional Name: 1,4-dithiepan-6-yl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]ammonium Formula: C17H23FN3S2+ MolecularWeight: 352.513023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=CC=C2)F)C(C)[NH2+]C3CSCCSC3

Isomeric SMILES

CC1=C(C=NN1C2=CC(=CC=C2)F)[C@H](C)[NH2+]C3CSCCSC3

InChI

InChI=1S/C17H22FN3S2/c1-12(20-15-10-22-6-7-23-11-15)17-9-19-21(13(17)2)16-5-3-4-14(18)8-16/h3-5,8-9,12,15,20H,6-7,10-11H2,1-2H3/p+1/t12-/m0/s1