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

Systemtic Name: dimethyl-[(1R)-2-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-2-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C18H21N4O2S+ MolecularWeight: 357.44994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)[NH+](C)C

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC[C@H](C3=CC=CS3)[NH+](C)C

InChI

InChI=1S/C18H20N4O2S/c1-21(2)14(15-9-6-10-25-15)11-19-17(23)16-12-7-4-5-8-13(12)18(24)22(3)20-16/h4-10,14H,11H2,1-3H3,(H,19,23)/p+1/t14-/m1/s1