[4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [4-(methylcarbamoyl)-1-oxidanylidene-phthalazin-2-yl]methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium Openeye Name: allyl-[[4-(methylcarbamoyl)-1-oxo-phthalazin-2-yl]methyl]-(2-thienylmethyl)ammonium CAS Name: [4-(methylcarbamoyl)-1-oxo-2-phthalazinyl]methyl-prop-2-enyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [4-(methylcarbamoyl)-1-oxophthalazin-2-yl]methyl-prop-2-enyl-(thiophen-2-ylmethyl)azanium Traditional Name: allyl-[[1-keto-4-(methylcarbamoyl)phthalazin-2-yl]methyl]-(2-thenyl)ammonium Formula: C19H21N4O2S+ MolecularWeight: 369.46064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](CC=C)CC3=CC=CS3

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+](CC=C)CC3=CC=CS3

InChI

InChI=1S/C19H20N4O2S/c1-3-10-22(12-14-7-6-11-26-14)13-23-19(25)16-9-5-4-8-15(16)17(21-23)18(24)20-2/h3-9,11H,1,10,12-13H2,2H3,(H,20,24)/p+1