N-[3-(dimethylamino)phenyl]-2-(pyridin-1-ium-1-ylmethyldiazenyl)ethanamide; methyl sulfate

Systemtic Name: N-[3-(dimethylamino)phenyl]-2-(pyridin-1-ium-1-ylmethyldiazenyl)ethanamide; methyl sulfate Openeye Name: N-[3-(dimethylamino)phenyl]-2-(pyridin-1-ium-1-ylmethylazo)acetamide; methyl sulfate CAS Name: N-[3-(dimethylamino)phenyl]-2-(1-pyridin-1-iumylmethylazo)acetamide; methyl sulfate IUPAC Name: N-[3-(dimethylamino)phenyl]-2-(pyridin-1-ium-1-ylmethyldiazenyl)acetamide; methyl sulfate Traditional Name: N-[3-(dimethylamino)phenyl]-2-(pyridin-1-ium-1-ylmethylazo)acetamide; methyl sulfate Formula: C17H23N5O5S MolecularWeight: 409.46002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)NC(=O)CN=NC[N+]2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CC=CC(=C1)NC(=O)CN=NC[N+]2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H19N5O.CH4O4S/c1-20(2)15-8-6-7-14(11-15)19-16(22)12-17-18-13-21-9-4-3-5-10-21;1-5-6(2,3)4/h3-11H,12-13H2,1-2H3;1H3,(H,2,3,4)