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

Systemtic Name: [2-[2-(3-chlorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: [2-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-2-oxo-ethyl]-ethyl-ammonium CAS Name: [2-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-2-oxoethyl]-ethylammonium IUPAC Name: [2-[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-2-oxoethyl]-ethylazanium Traditional Name: [2-[1-(3-chlorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-2-keto-ethyl]-ethyl-ammonium Formula: C16H21ClN3O2+ MolecularWeight: 322.80984

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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+]CC

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O2/c1-3-6-13-15(14(21)10-18-4-2)16(22)20(19-13)12-8-5-7-11(17)9-12/h5,7-9,18-19H,3-4,6,10H2,1-2H3/p+1