dimethyl-[(1R)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CC1=NNC(=O)C2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CC1=NNC(=O)C2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C18H20N4O2S/c1-22(2)15(16-8-5-9-25-16)11-19-17(23)10-14-12-6-3-4-7-13(12)18(24)21-20-14/h3-9,15H,10-11H2,1-2H3,(H,19,23)(H,21,24)/p+1/t15-/m1/s1