(5-cyclohexyl-1H-pyrazol-4-yl)methyl-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]azanium Openeye Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]ammonium CAS Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]azanium Traditional Name: (5-cyclohexyl-1H-pyrazol-4-yl)methyl-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]ammonium Formula: C20H33N5+2 MolecularWeight: 343.50952

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)C[NH2+]CC2=C(NN=C2)C3CCCCC3

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)C[NH2+]CC2=C(NN=C2)C3CCCCC3

InChI

InChI=1S/C20H31N5/c1-3-25(4-2)20-17(11-8-12-22-20)13-21-14-18-15-23-24-19(18)16-9-6-5-7-10-16/h8,11-12,15-16,21H,3-7,9-10,13-14H2,1-2H3,(H,23,24)/p+2