4-oxidanylidene-3-[2-oxidanylidene-2-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]phthalazin-1-olate

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]amino]ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]amino]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]amino]ethyl]phthalazin-1-olate Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C19H21N5O3S/c25-16(11-24-18(27)15-7-3-2-6-14(15)17(26)22-24)21-19-20-13(12-28-19)10-23-8-4-1-5-9-23/h2-3,6-7,12H,1,4-5,8-11H2,(H,22,26)(H,20,21,25)