2-[3-[5-(2-cyclohexylethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[3-[5-(2-cyclohexylethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[3-[5-(2-cyclohexylethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[3-[5-(2-cyclohexylethyl)-2-phenyl-3-pyrazolyl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[3-[5-(2-cyclohexylethyl)-2-phenylpyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[3-[5-(2-cyclohexylethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone Formula: C28H30N3OS+ MolecularWeight: 456.6223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NN(C(=C2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)CCC2=NN(C(=C2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N3OS/c32-27(28-14-8-18-33-28)21-30-17-7-11-23(20-30)26-19-24(16-15-22-9-3-1-4-10-22)29-31(26)25-12-5-2-6-13-25/h2,5-8,11-14,17-20,22H,1,3-4,9-10,15-16,21H2/q+1