2-[4-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(1-benzyl-5-chloro-6-oxo-pyridazin-4-yl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[5-chloro-6-oxo-1-(phenylmethyl)-4-pyridazinyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(1-benzyl-5-chloro-6-keto-pyridazin-4-yl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H25ClN5O2+ MolecularWeight: 402.8978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H24ClN5O2/c21-19-17(12-22-26(20(19)28)13-15-4-2-1-3-5-15)25-10-8-24(9-11-25)14-18(27)23-16-6-7-16/h1-5,12,16H,6-11,13-14H2,(H,23,27)/p+1