2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(4-nitrothiophen-2-yl)ethanone bromide

Systemtic Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(4-nitrothiophen-2-yl)ethanone bromide Openeye Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(4-nitro-2-thienyl)ethanone bromide CAS Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-1-(4-nitro-2-thiophenyl)ethanone bromide IUPAC Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(4-nitrothiophen-2-yl)ethanone bromide Traditional Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(4-nitro-2-thienyl)ethanone bromide Formula: C22H25BrN4O3S MolecularWeight: 505.4279

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC(=CS4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1CCC(CC1)CCC2=CC(=NN2)C3=C[N+](=CC=C3)CC(=O)C4=CC(=CS4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C22H25N4O3S.BrH/c27-21(22-12-19(15-30-22)26(28)29)14-25-10-4-7-17(13-25)20-11-18(23-24-20)9-8-16-5-2-1-3-6-16;/h4,7,10-13,15-16H,1-3,5-6,8-9,14H2,(H,23,24);1H/q+1;/p-1