2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-5-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-one Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=O)N(N=C2)CC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H25N5O2/c1-22-8-10-23(11-9-22)18-12-19(26)25(21-13-18)15-20(27)24-7-6-16-4-2-3-5-17(16)14-24/h2-5,12-13H,6-11,14-15H2,1H3/p+1