2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide

Systemtic Name: 2-[4-(5-chloranyl-6-oxidanylidene-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]ethanamide Openeye Name: 2-[4-(5-chloro-6-oxo-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]-N-[(1S)-1,2-dimethylpropyl]acetamide CAS Name: 2-[4-(5-chloro-6-oxo-1-phenyl-4-pyridazinyl)-1-piperazin-1-iumyl]-N-[(2S)-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]-N-[(2S)-3-methylbutan-2-yl]acetamide Traditional Name: 2-[4-(5-chloro-6-keto-1-phenyl-pyridazin-4-yl)piperazin-1-ium-1-yl]-N-[(1S)-1,2-dimethylpropyl]acetamide Formula: C21H29ClN5O2+ MolecularWeight: 418.94026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)C[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)C[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H28ClN5O2/c1-15(2)16(3)24-19(28)14-25-9-11-26(12-10-25)18-13-23-27(21(29)20(18)22)17-7-5-4-6-8-17/h4-8,13,15-16H,9-12,14H2,1-3H3,(H,24,28)/p+1/t16-/m0/s1