[5-(dimethylamino)-2-[(1-methylpyridin-1-ium-3-yl)diazenyl]phenyl] N,N-dimethylcarbamate iodide

Systemtic Name: [5-(dimethylamino)-2-[(1-methylpyridin-1-ium-3-yl)diazenyl]phenyl] N,N-dimethylcarbamate iodide Openeye Name: [5-(dimethylamino)-2-(1-methylpyridin-1-ium-3-yl)azo-phenyl] N,N-dimethylcarbamate iodide CAS Name: N,N-dimethylcarbamic acid [5-(dimethylamino)-2-[(1-methyl-3-pyridin-1-iumyl)azo]phenyl] ester iodide IUPAC Name: [5-(dimethylamino)-2-[(1-methylpyridin-1-ium-3-yl)diazenyl]phenyl] N,N-dimethylcarbamate iodide Traditional Name: N,N-dimethylcarbamic acid [5-(dimethylamino)-2-(1-methylpyridin-1-ium-3-yl)azo-phenyl] ester iodide Formula: C17H22IN5O2 MolecularWeight: 455.29335

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)N=NC2=C(C=C(C=C2)N(C)C)OC(=O)N(C)C.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)N=NC2=C(C=C(C=C2)N(C)C)OC(=O)N(C)C.[I-]

InChI

InChI=1S/C17H22N5O2.HI/c1-20(2)14-8-9-15(16(11-14)24-17(23)21(3)4)19-18-13-7-6-10-22(5)12-13;/h6-12H,1-5H3;1H/q+1;/p-1