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

Systemtic Name: 2-[4-[5-chloranyl-6-oxidanylidene-1-(phenylmethyl)pyridazin-4-yl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(1-benzyl-5-chloro-6-oxo-pyridazin-4-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[5-chloro-6-oxo-1-(phenylmethyl)-4-pyridazinyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(1-benzyl-5-chloro-6-keto-pyridazin-4-yl)piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C20H27ClN5O2+ MolecularWeight: 404.91368

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H26ClN5O2/c1-2-8-22-18(27)15-24-9-11-25(12-10-24)17-13-23-26(20(28)19(17)21)14-16-6-4-3-5-7-16/h3-7,13H,2,8-12,14-15H2,1H3,(H,22,27)/p+1