morpholin-4-yl-[(3S)-1-[(1-sulfanylidenephthalazin-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: morpholin-4-yl-[(3S)-1-[(1-sulfanylidenephthalazin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: morpholino-[(3S)-1-[(1-thioxophthalazin-2-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 4-morpholinyl-[(3S)-1-[(1-sulfanylidene-2-phthalazinyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: morpholin-4-yl-[(3S)-1-[(1-sulfanylidenephthalazin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: morpholino-[(3S)-1-[(1-thioxophthalazin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C(=S)C3=CC=CC=C3C=N2)C(=O)N4CCOCC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C(=S)C3=CC=CC=C3C=N2)C(=O)N4CCOCC4

InChI

InChI=1S/C19H24N4O2S/c24-18(22-8-10-25-11-9-22)16-5-3-7-21(13-16)14-23-19(26)17-6-2-1-4-15(17)12-20-23/h1-2,4,6,12,16H,3,5,7-11,13-14H2/p+1/t16-/m0/s1