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

Systemtic Name: 2-[3-[2-phenyl-5-(phenylmethyl)pyrazol-3-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[3-(5-benzyl-2-phenyl-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[3-[2-phenyl-5-(phenylmethyl)-3-pyrazolyl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[3-(5-benzyl-2-phenylpyrazol-3-yl)pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[3-(5-benzyl-2-phenyl-pyrazol-3-yl)pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone Formula: C27H22N3OS+ MolecularWeight: 436.54808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN(C(=C2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN(C(=C2)C3=C[N+](=CC=C3)CC(=O)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N3OS/c31-26(27-14-8-16-32-27)20-29-15-7-11-22(19-29)25-18-23(17-21-9-3-1-4-10-21)28-30(25)24-12-5-2-6-13-24/h1-16,18-19H,17,20H2/q+1