6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-5-methoxy-2-phenyl-pyridazin-3-one

Systemtic Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbonyl-5-methoxy-2-phenyl-pyridazin-3-one Openeye Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-5-methoxy-2-phenyl-pyridazin-3-one CAS Name: 6-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-oxomethyl]-5-methoxy-2-phenyl-3-pyridazinone IUPAC Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one Traditional Name: 6-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbonyl]-5-methoxy-2-phenyl-pyridazin-3-one Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)N(N=C1C(=O)N2CC[NH+](CC2)CCO)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=O)N(N=C1C(=O)N2CC[NH+](CC2)CCO)C3=CC=CC=C3

InChI

InChI=1S/C18H22N4O4/c1-26-15-13-16(24)22(14-5-3-2-4-6-14)19-17(15)18(25)21-9-7-20(8-10-21)11-12-23/h2-6,13,23H,7-12H2,1H3/p+1