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

Systemtic Name: 1,4-dithiepan-6-yl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]azanium Openeye Name: 1,4-dithiepan-6-yl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium CAS Name: 1,4-dithiepan-6-yl-[(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]azanium Traditional Name: 1,4-dithiepan-6-yl-[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]ammonium Formula: C17H24N3S2+ MolecularWeight: 334.52256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3S2/c1-13(19-15-11-21-8-9-22-12-15)17-10-18-20(14(17)2)16-6-4-3-5-7-16/h3-7,10,13,15,19H,8-9,11-12H2,1-2H3/p+1/t13-/m0/s1