4-chloranyl-5-(3,5-dimethylpiperidin-1-ium-1-ylidene)-2-phenyl-pyridazin-3-one

Systemtic Name: 4-chloranyl-5-(3,5-dimethylpiperidin-1-ium-1-ylidene)-2-phenyl-pyridazin-3-one Openeye Name: 4-chloro-5-(3,5-dimethylpiperidin-1-ium-1-ylidene)-2-phenyl-pyridazin-3-one CAS Name: 4-chloro-5-(3,5-dimethyl-1-piperidin-1-iumylidene)-2-phenyl-3-pyridazinone IUPAC Name: 4-chloro-5-(3,5-dimethylpiperidin-1-ium-1-ylidene)-2-phenylpyridazin-3-one Traditional Name: 4-chloro-5-(3,5-dimethylpiperidin-1-ium-1-ylidene)-2-phenyl-pyridazin-3-one Formula: C17H21ClN3O+ MolecularWeight: 318.82114

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[N+](=C2C=NN(C(=O)C2Cl)C3=CC=CC=C3)C1)C

Isomeric SMILES

CC1CC(C[N+](=C2C=NN(C(=O)C2Cl)C3=CC=CC=C3)C1)C

InChI

InChI=1S/C17H21ClN3O/c1-12-8-13(2)11-20(10-12)15-9-19-21(17(22)16(15)18)14-6-4-3-5-7-14/h3-7,9,12-13,16H,8,10-11H2,1-2H3/q+1