[4-(2-diethylaminoethyloxycarbonyl)-1-(phenylmethyl)pyrazol-3-yl]azanium chloride

Systemtic Name: [4-(2-diethylaminoethyloxycarbonyl)-1-(phenylmethyl)pyrazol-3-yl]azanium chloride Openeye Name: [1-benzyl-4-(2-diethylaminoethyloxycarbonyl)pyrazol-3-yl]ammonium chloride CAS Name: [4-[2-diethylaminoethyloxy(oxo)methyl]-1-(phenylmethyl)-3-pyrazolyl]ammonium chloride IUPAC Name: [1-benzyl-4-(2-diethylaminoethyloxycarbonyl)pyrazol-3-yl]azanium chloride Traditional Name: [1-benzyl-4-(2-diethylaminoethyloxycarbonyl)pyrazol-3-yl]ammonium chloride Formula: C17H25ClN4O2 MolecularWeight: 352.859

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CN(N=C1[NH3+])CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CN(N=C1[NH3+])CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C17H24N4O2.ClH/c1-3-20(4-2)10-11-23-17(22)15-13-21(19-16(15)18)12-14-8-6-5-7-9-14;/h5-9,13H,3-4,10-12H2,1-2H3,(H2,18,19);1H