2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one

Systemtic Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Openeye Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one CAS Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridazinone IUPAC Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Traditional Name: 2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridazin-3-one Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)CC3COC4=CC=CC=C4O3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC(=O)N(N=C2)C[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H24N4O3/c1-21-7-4-8-22(10-9-21)15-11-19(24)23(20-12-15)13-16-14-25-17-5-2-3-6-18(17)26-16/h2-3,5-6,11-12,16H,4,7-10,13-14H2,1H3/p+1/t16-/m1/s1