[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(1,3-thiazol-4-yl)ethyl]azanium

Systemtic Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(1,3-thiazol-4-yl)ethyl]azanium Openeye Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-(2-thiazol-4-ylethyl)ammonium CAS Name: [3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-[2-(4-thiazolyl)ethyl]ammonium IUPAC Name: [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-[2-(1,3-thiazol-4-yl)ethyl]azanium Traditional Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-(2-thiazol-4-ylethyl)ammonium Formula: C22H23N4OS+ MolecularWeight: 391.50922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]CCC3=CSC=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH2+]CCC3=CSC=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-27-21-9-5-6-17(12-21)22-18(13-23-11-10-19-15-28-16-24-19)14-26(25-22)20-7-3-2-4-8-20/h2-9,12,14-16,23H,10-11,13H2,1H3/p+1