4-methyl-3-[2-[(2-oxidanylphenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 4-methyl-3-[2-[(2-oxidanylphenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[2-[(2-hydroxyphenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[2-[(2-hydroxyphenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[2-[(2-hydroxyphenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[2-[(2-hydroxyphenoxy)methyl]-3H-benzimidazol-1-ium-5-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C19H19N4O3+ MolecularWeight: 351.37916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC3=C(C=C2)[NH+]=C(N3)COC4=CC=CC=C4O

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC3=C(C=C2)[NH+]=C(N3)COC4=CC=CC=C4O

InChI

InChI=1S/C19H18N4O3/c1-11-8-18(25)22-23-19(11)12-6-7-13-14(9-12)21-17(20-13)10-26-16-5-3-2-4-15(16)24/h2-7,9,11,24H,8,10H2,1H3,(H,20,21)(H,22,25)/p+1