[(1S)-2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]ethanoylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]-1-oxoethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]acetyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)thio]acetyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)SCC(=O)NCC(C2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1)C)SCC(=O)NC[C@H](C2=CC=CC=C2)[NH+](C)C

InChI

InChI=1S/C17H24N4OS/c1-12-17(13(2)20-19-12)23-11-16(22)18-10-15(21(3)4)14-8-6-5-7-9-14/h5-9,15H,10-11H2,1-4H3,(H,18,22)(H,19,20)/p+1/t15-/m1/s1