dimethyl-[(2S)-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[[2-(4-oxocinnolin-1-yl)acetyl]amino]-2-phenylethyl]azanium Traditional Name: [(2S)-2-[[2-(4-ketocinnolin-1-yl)acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C20H22N4O2/c1-23(2)13-17(15-8-4-3-5-9-15)22-20(26)14-24-18-11-7-6-10-16(18)19(25)12-21-24/h3-12,17H,13-14H2,1-2H3,(H,22,26)/p+1/t17-/m1/s1