[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [5-(p-tolyl)-1H-pyrazol-4-yl]methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [5-(p-tolyl)-1H-pyrazol-4-yl]methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C17H20N3S+ MolecularWeight: 298.4258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH2+]C(C)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH2+][C@@H](C)C3=CC=CS3

InChI

InChI=1S/C17H19N3S/c1-12-5-7-14(8-6-12)17-15(11-19-20-17)10-18-13(2)16-4-3-9-21-16/h3-9,11,13,18H,10H2,1-2H3,(H,19,20)/p+1/t13-/m0/s1