methyl 1-(4-chlorophenyl)-1-methyl-4-oxidanylidene-5-propyl-pyridazin-1-ium-3-carboxylate

Systemtic Name: methyl 1-(4-chlorophenyl)-1-methyl-4-oxidanylidene-5-propyl-pyridazin-1-ium-3-carboxylate Openeye Name: methyl 1-(4-chlorophenyl)-1-methyl-4-oxo-5-propyl-pyridazin-1-ium-3-carboxylate CAS Name: 1-(4-chlorophenyl)-1-methyl-4-oxo-5-propyl-3-pyridazin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-(4-chlorophenyl)-1-methyl-4-oxo-5-propylpyridazin-1-ium-3-carboxylate Traditional Name: 1-(4-chlorophenyl)-4-keto-1-methyl-5-propyl-pyridazin-1-ium-3-carboxylic acid methyl ester Formula: C16H18ClN2O3+ MolecularWeight: 321.77872

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C[N+](N=C(C1=O)C(=O)OC)(C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCC1=C[N+](N=C(C1=O)C(=O)OC)(C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H18ClN2O3/c1-4-5-11-10-19(2,13-8-6-12(17)7-9-13)18-14(15(11)20)16(21)22-3/h6-10H,4-5H2,1-3H3/q+1