6-(1,3-benzodioxol-5-yl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one CAS Name: 6-(1,3-benzodioxol-5-yl)-2-[2-(1-piperidin-1-iumyl)ethyl]-3-pyridazinone IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one Traditional Name: 6-(1,3-benzodioxol-5-yl)-2-(2-piperidin-1-ium-1-ylethyl)pyridazin-3-one Formula: C18H22N3O3+ MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O3/c22-18-7-5-15(14-4-6-16-17(12-14)24-13-23-16)19-21(18)11-10-20-8-2-1-3-9-20/h4-7,12H,1-3,8-11,13H2/p+1