2-[4-(3-azaniumylpropyl)-3,5-dimethyl-pyrazol-1-yl]benzoate

Systemtic Name: 2-[4-(3-azaniumylpropyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Openeye Name: 2-[4-(3-azaniumylpropyl)-3,5-dimethyl-pyrazol-1-yl]benzoate CAS Name: 2-[4-(3-ammoniopropyl)-3,5-dimethyl-1-pyrazolyl]benzoate IUPAC Name: 2-[4-(3-azaniumylpropyl)-3,5-dimethylpyrazol-1-yl]benzoate Traditional Name: 2-[4-(3-ammoniopropyl)-3,5-dimethyl-pyrazol-1-yl]benzoate Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2C(=O)[O-])C)CCC[NH3+]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2C(=O)[O-])C)CCC[NH3+]

InChI

InChI=1S/C15H19N3O2/c1-10-12(7-5-9-16)11(2)18(17-10)14-8-4-3-6-13(14)15(19)20/h3-4,6,8H,5,7,9,16H2,1-2H3,(H,19,20)