[2-[2-(3-chlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-propyl-azanium

Systemtic Name: [2-[2-(3-chlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: [2-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-2-oxo-ethyl]-propyl-ammonium CAS Name: [2-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-2-oxoethyl]-propylammonium IUPAC Name: [2-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-2-oxoethyl]-propylazanium Traditional Name: [2-[1-(3-chlorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-2-keto-ethyl]-propyl-ammonium Formula: C17H23ClN3O2+ MolecularWeight: 336.83642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C(=O)C[NH2+]CCC

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C(=O)C[NH2+]CCC

InChI

InChI=1S/C17H22ClN3O2/c1-3-6-14-16(15(22)11-19-9-4-2)17(23)21(20-14)13-8-5-7-12(18)10-13/h5,7-8,10,19-20H,3-4,6,9,11H2,1-2H3/p+1