2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: 2-(4,5-dimethylthiazol-2-yl)ethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium CAS Name: 2-(4,5-dimethyl-2-thiazolyl)ethyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: 2-(4,5-dimethylthiazol-2-yl)ethyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC[NH2+]CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(SC(=N1)CC[NH2+]CC2=CN(N=C2C3=CC=C(C=C3)OC4=CC=CC=C4)C)C

InChI

InChI=1S/C24H26N4OS/c1-17-18(2)30-23(26-17)13-14-25-15-20-16-28(3)27-24(20)19-9-11-22(12-10-19)29-21-7-5-4-6-8-21/h4-12,16,25H,13-15H2,1-3H3/p+1