N-(3-morpholin-4-ium-4-ylpropyl)-2-phthalazin-1-ylsulfanyl-ethanamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phthalazin-1-ylsulfanyl-ethanamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phthalazin-1-ylsulfanyl-acetamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-(1-phthalazinylthio)acetamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-phthalazin-1-ylsulfanylacetamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(phthalazin-1-ylthio)acetamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CSC2=NN=CC3=CC=CC=C32

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CSC2=NN=CC3=CC=CC=C32

InChI

InChI=1S/C17H22N4O2S/c22-16(18-6-3-7-21-8-10-23-11-9-21)13-24-17-15-5-2-1-4-14(15)12-19-20-17/h1-2,4-5,12H,3,6-11,13H2,(H,18,22)/p+1