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

Systemtic Name: 1-[5-(2-cyclohexylethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium bromide Openeye Name: 1-[5-(2-cyclohexylethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium bromide CAS Name: 1-[5-(2-cyclohexylethyl)-2-phenyl-3-pyrazolyl]pyridin-1-ium bromide IUPAC Name: 1-[5-(2-cyclohexylethyl)-2-phenylpyrazol-3-yl]pyridin-1-ium bromide Traditional Name: 1-[5-(2-cyclohexylethyl)-2-phenyl-pyrazol-3-yl]pyridin-1-ium bromide Formula: C22H26BrN3 MolecularWeight: 412.36594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NN(C(=C2)[N+]3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1CCC(CC1)CCC2=NN(C(=C2)[N+]3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H26N3.BrH/c1-4-10-19(11-5-1)14-15-20-18-22(24-16-8-3-9-17-24)25(23-20)21-12-6-2-7-13-21;/h2-3,6-9,12-13,16-19H,1,4-5,10-11,14-15H2;1H/q+1;/p-1