[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C18H21N4OS+ MolecularWeight: 341.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH2+]C(C)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH2+][C@@H](C)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4OS/c1-13-11-17(22(21-13)15-7-4-3-5-8-15)20-18(23)12-19-14(2)16-9-6-10-24-16/h3-11,14,19H,12H2,1-2H3,(H,20,23)/p+1/t14-/m0/s1