4-chloranyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-2-(phenylmethyl)pyridazin-3-one

Systemtic Name: 4-chloranyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-2-(phenylmethyl)pyridazin-3-one Openeye Name: 2-benzyl-4-chloro-5-[(6-morpholinopyridin-1-ium-3-yl)methylamino]pyridazin-3-one CAS Name: 4-chloro-5-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-2-(phenylmethyl)-3-pyridazinone IUPAC Name: 2-benzyl-4-chloro-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]pyridazin-3-one Traditional Name: 2-benzyl-4-chloro-5-[(6-morpholinopyridin-1-ium-3-yl)methylamino]pyridazin-3-one Formula: C21H23ClN5O2+ MolecularWeight: 412.89262

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC3=C(C(=O)N(N=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H22ClN5O2/c22-20-18(14-25-27(21(20)28)15-16-4-2-1-3-5-16)23-12-17-6-7-19(24-13-17)26-8-10-29-11-9-26/h1-7,13-14,23H,8-12,15H2/p+1