2-[3-[2-cyclohexyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[3-[2-cyclohexyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[3-[2-cyclohexyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[3-[2-cyclohexyl-5-[(3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[3-[2-cyclohexyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[3-[2-cyclohexyl-5-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone Formula: C26H30N5OS+ MolecularWeight: 460.6143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=NN(C(=C2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C5CCCCC5)C

Isomeric SMILES

CC1=CC(=NN1CC2=NN(C(=C2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C5CCCCC5)C

InChI

InChI=1S/C26H30N5OS/c1-19-14-20(2)30(27-19)17-22-15-24(31(28-22)23-9-4-3-5-10-23)21-8-6-12-29(16-21)18-25(32)26-11-7-13-33-26/h6-8,11-16,23H,3-5,9-10,17-18H2,1-2H3/q+1