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

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]phthalazin-1-olate Openeye Name: 4-oxo-3-[2-oxo-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]amino]ethyl]phthalazin-1-olate CAS Name: 4-oxo-3-[2-oxo-2-[[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]amino]ethyl]-1-phthalazinolate IUPAC Name: 4-oxo-3-[2-oxo-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]phthalazin-1-olate Traditional Name: 4-keto-3-[2-keto-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]amino]ethyl]phthalazin-1-olate Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)[O-]

InChI

InChI=1S/C18H19N5O3S/c24-15(20-18-19-12(11-27-18)9-22-7-3-4-8-22)10-23-17(26)14-6-2-1-5-13(14)16(25)21-23/h1-2,5-6,11H,3-4,7-10H2,(H,21,25)(H,19,20,24)