4-ethyl-2-(2-piperidin-1-ium-2-ylethyl)phthalazin-1-one chloride

Systemtic Name: 4-ethyl-2-(2-piperidin-1-ium-2-ylethyl)phthalazin-1-one chloride Openeye Name: 4-ethyl-2-(2-piperidin-1-ium-2-ylethyl)phthalazin-1-one chloride CAS Name: 4-ethyl-2-[2-(2-piperidin-1-iumyl)ethyl]-1-phthalazinone chloride IUPAC Name: 4-ethyl-2-(2-piperidin-1-ium-2-ylethyl)phthalazin-1-one chloride Traditional Name: 4-ethyl-2-(2-piperidin-1-ium-2-ylethyl)phthalazin-1-one chloride Formula: C17H24ClN3O MolecularWeight: 321.84496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=O)C2=CC=CC=C21)CCC3CCCC[NH2+]3.[Cl-]

Isomeric SMILES

CCC1=NN(C(=O)C2=CC=CC=C21)CCC3CCCC[NH2+]3.[Cl-]

InChI

InChI=1S/C17H23N3O.ClH/c1-2-16-14-8-3-4-9-15(14)17(21)20(19-16)12-10-13-7-5-6-11-18-13;/h3-4,8-9,13,18H,2,5-7,10-12H2,1H3;1H