1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxy-ethyl]-3H-pyrazol-1-ium ethanoate

Systemtic Name: 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxy-ethyl]-3H-pyrazol-1-ium ethanoate Openeye Name: 1-[2-allyloxy-2-(2,4-dichlorophenyl)ethyl]-3H-pyrazol-1-ium acetate CAS Name: 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-3H-pyrazol-1-ium acetate IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]-3H-pyrazol-1-ium acetate Traditional Name: 1-[2-allyloxy-2-(2,4-dichlorophenyl)ethyl]-3H-pyrazol-1-ium acetate Formula: C16H18Cl2N2O3 MolecularWeight: 357.23172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C=CCOC(C[N+]1=NCC=C1)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC(=O)[O-].C=CCOC(C[N+]1=NCC=C1)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C14H15Cl2N2O.C2H4O2/c1-2-8-19-14(10-18-7-3-6-17-18)12-5-4-11(15)9-13(12)16;1-2(3)4/h2-5,7,9,14H,1,6,8,10H2;1H3,(H,3,4)/q+1;/p-1