[1-[[[3-[(1S)-1-cyano-2-methoxy-2-oxidanylidene-ethyl]quinoxalin-2-yl]amino]methyl]cyclohexyl]-dimethyl-azanium

Systemtic Name: [1-[[[3-[(1S)-1-cyano-2-methoxy-2-oxidanylidene-ethyl]quinoxalin-2-yl]amino]methyl]cyclohexyl]-dimethyl-azanium Openeye Name: [1-[[[3-[(1S)-1-cyano-2-methoxy-2-oxo-ethyl]quinoxalin-2-yl]amino]methyl]cyclohexyl]-dimethyl-ammonium CAS Name: [1-[[[3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]-2-quinoxalinyl]amino]methyl]cyclohexyl]-dimethylammonium IUPAC Name: [1-[[[3-[(1S)-1-cyano-2-methoxy-2-oxoethyl]quinoxalin-2-yl]amino]methyl]cyclohexyl]-dimethylazanium Traditional Name: [1-[[[3-[(1S)-1-cyano-2-keto-2-methoxy-ethyl]quinoxalin-2-yl]amino]methyl]cyclohexyl]-dimethyl-ammonium Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)OC

InChI

InChI=1S/C21H27N5O2/c1-26(2)21(11-7-4-8-12-21)14-23-19-18(15(13-22)20(27)28-3)24-16-9-5-6-10-17(16)25-19/h5-6,9-10,15H,4,7-8,11-12,14H2,1-3H3,(H,23,25)/p+1/t15-/m1/s1