2-[2-oxidanylidene-2-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)ethyl]phthalazin-1-one

Systemtic Name: 2-[2-oxidanylidene-2-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)ethyl]phthalazin-1-one Openeye Name: 2-[2-oxo-2-(4-thiomorpholin-4-ium-4-yl-1-piperidyl)ethyl]phthalazin-1-one CAS Name: 2-[2-oxo-2-[4-(4-thiomorpholin-4-iumyl)-1-piperidinyl]ethyl]-1-phthalazinone IUPAC Name: 2-[2-oxo-2-(4-thiomorpholin-4-ium-4-ylpiperidin-1-yl)ethyl]phthalazin-1-one Traditional Name: 2-[2-keto-2-(4-thiomorpholin-4-ium-4-ylpiperidino)ethyl]phthalazin-1-one Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCSCC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1CN(CCC1[NH+]2CCSCC2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C19H24N4O2S/c24-18(14-23-19(25)17-4-2-1-3-15(17)13-20-23)22-7-5-16(6-8-22)21-9-11-26-12-10-21/h1-4,13,16H,5-12,14H2/p+1