[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(1-oxidanylidenephthalazin-2-yl)methyl]-propyl-azanium

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-[(1-oxidanylidenephthalazin-2-yl)methyl]-propyl-azanium Openeye Name: [(3S)-1,1-dioxothiolan-3-yl]-[(1-oxophthalazin-2-yl)methyl]-propyl-ammonium CAS Name: [(3S)-1,1-dioxo-3-thiolanyl]-[(1-oxo-2-phthalazinyl)methyl]-propylammonium IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl]-[(1-oxophthalazin-2-yl)methyl]-propylazanium Traditional Name: [(3S)-1,1-diketothiolan-3-yl]-[(1-ketophthalazin-2-yl)methyl]-propyl-ammonium Formula: C16H22N3O3S+ MolecularWeight: 336.42918

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CN1C(=O)C2=CC=CC=C2C=N1)C3CCS(=O)(=O)C3

Isomeric SMILES

CCC[NH+](CN1C(=O)C2=CC=CC=C2C=N1)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C16H21N3O3S/c1-2-8-18(14-7-9-23(21,22)11-14)12-19-16(20)15-6-4-3-5-13(15)10-17-19/h3-6,10,14H,2,7-9,11-12H2,1H3/p+1/t14-/m0/s1