7-chloranyl-1-(2-methylpropyl)-2-oxidanyl-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-4-one

Systemtic Name: 7-chloranyl-1-(2-methylpropyl)-2-oxidanyl-3-(phenylmethyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Openeye Name: 3-benzyl-7-chloro-2-hydroxy-1-isobutyl-pyrimido[1,2-b]pyridazin-5-ium-4-one CAS Name: 7-chloro-2-hydroxy-1-(2-methylpropyl)-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone IUPAC Name: 3-benzyl-7-chloro-2-hydroxy-1-(2-methylpropyl)pyrimido[1,2-b]pyridazin-5-ium-4-one Traditional Name: 3-benzyl-7-chloro-2-hydroxy-1-isobutyl-pyrimido[1,2-b]pyridazin-5-ium-4-one Formula: C18H19ClN3O2+ MolecularWeight: 344.81536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=[N+](C(=O)C(=C1O)CC3=CC=CC=C3)N=C(C=C2)Cl

Isomeric SMILES

CC(C)CN1C2=[N+](C(=O)C(=C1O)CC3=CC=CC=C3)N=C(C=C2)Cl

InChI

InChI=1S/C18H18ClN3O2/c1-12(2)11-21-16-9-8-15(19)20-22(16)18(24)14(17(21)23)10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/p+1