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

Systemtic Name: dimethyl-[(1S)-2-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: [(1S)-2-[(4-keto-3H-phthalazine-1-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CSC=C3

InChI

InChI=1S/C17H18N4O2S/c1-21(2)14(11-7-8-24-10-11)9-18-17(23)15-12-5-3-4-6-13(12)16(22)20-19-15/h3-8,10,14H,9H2,1-2H3,(H,18,23)(H,20,22)/p+1/t14-/m1/s1