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

Systemtic Name: 4-oxidanylidene-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]-3H-phthalazine-1-carboxamide Formula: C18H20N5O2S+ MolecularWeight: 370.4487

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H19N5O2S/c24-16-14-7-3-2-6-13(14)15(21-22-16)17(25)20-18-19-12(11-26-18)10-23-8-4-1-5-9-23/h2-3,6-7,11H,1,4-5,8-10H2,(H,22,24)(H,19,20,25)/p+1