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

Systemtic Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(5-methylthiophen-2-yl)ethanone Openeye Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(5-methyl-2-thienyl)ethanone CAS Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]-1-pyridin-1-iumyl]-1-(5-methyl-2-thiophenyl)ethanone IUPAC Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(5-methylthiophen-2-yl)ethanone Traditional Name: 2-[3-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium-1-yl]-1-(5-methyl-2-thienyl)ethanone Formula: C23H28N3OS+ MolecularWeight: 394.55292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CCC4CCCCC4

Isomeric SMILES

CC1=CC=C(S1)C(=O)C[N+]2=CC=CC(=C2)C3=NNC(=C3)CCC4CCCCC4

InChI

InChI=1S/C23H28N3OS/c1-17-9-12-23(28-17)22(27)16-26-13-5-8-19(15-26)21-14-20(24-25-21)11-10-18-6-3-2-4-7-18/h5,8-9,12-15,18H,2-4,6-7,10-11,16H2,1H3,(H,24,25)/q+1