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

Systemtic Name: 2-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide Openeye Name: 2-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide CAS Name: 2-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide IUPAC Name: 2-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide Traditional Name: 2-[5-(2-cyclohexylethyl)-1H-pyrazol-3-yl]pyridin-1-ium bromide Formula: C16H22BrN3 MolecularWeight: 336.26998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=CC(=NN2)C3=CC=CC=[NH+]3.[Br-]

Isomeric SMILES

C1CCC(CC1)CCC2=CC(=NN2)C3=CC=CC=[NH+]3.[Br-]

InChI

InChI=1S/C16H21N3.BrH/c1-2-6-13(7-3-1)9-10-14-12-16(19-18-14)15-8-4-5-11-17-15;/h4-5,8,11-13H,1-3,6-7,9-10H2,(H,18,19);1H