4-oxidanylidene-3-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]phthalazine-1-carboxamide Formula: C23H22N5O2S+ MolecularWeight: 432.51808

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C23H21N5O2S/c29-21(25-23-24-16(15-31-23)14-27-12-6-7-13-27)20-18-10-4-5-11-19(18)22(30)28(26-20)17-8-2-1-3-9-17/h1-5,8-11,15H,6-7,12-14H2,(H,24,25,29)/p+1