2-[3-[3-(phenylmethyl)-1,2-oxazol-5-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[3-[3-(phenylmethyl)-1,2-oxazol-5-yl]pyridin-1-ium-1-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[3-(3-benzylisoxazol-5-yl)pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone CAS Name: 2-[3-[3-(phenylmethyl)-5-isoxazolyl]-1-pyridin-1-iumyl]-1-thiophen-2-ylethanone IUPAC Name: 2-[3-(3-benzyl-1,2-oxazol-5-yl)pyridin-1-ium-1-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[3-(3-benzylisoxazol-5-yl)pyridin-1-ium-1-yl]-1-(2-thienyl)ethanone Formula: C21H17N2O2S+ MolecularWeight: 361.43688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N2O2S/c24-19(21-9-5-11-26-21)15-23-10-4-8-17(14-23)20-13-18(22-25-20)12-16-6-2-1-3-7-16/h1-11,13-14H,12,15H2/q+1