N-[2-[(4-dimethylaminophenyl)diazenyl]-2-pyridin-1-ium-1-yl-ethyl]ethanamide; ethyl sulfate

Systemtic Name: N-[2-[(4-dimethylaminophenyl)diazenyl]-2-pyridin-1-ium-1-yl-ethyl]ethanamide; ethyl sulfate Openeye Name: N-[2-(4-dimethylaminophenyl)azo-2-pyridin-1-ium-1-yl-ethyl]acetamide; ethyl sulfate CAS Name: N-[2-(4-dimethylaminophenyl)azo-2-(1-pyridin-1-iumyl)ethyl]acetamide; ethyl sulfate IUPAC Name: N-[2-[(4-dimethylaminophenyl)diazenyl]-2-pyridin-1-ium-1-ylethyl]acetamide; ethyl sulfate Traditional Name: N-[2-(4-dimethylaminophenyl)azo-2-pyridin-1-ium-1-yl-ethyl]acetamide; ethyl sulfate Formula: C19H27N5O5S MolecularWeight: 437.51318

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)[O-].CC(=O)NCC(N=NC1=CC=C(C=C1)N(C)C)[N+]2=CC=CC=C2

Isomeric SMILES

CCOS(=O)(=O)[O-].CC(=O)NCC(N=NC1=CC=C(C=C1)N(C)C)[N+]2=CC=CC=C2

InChI

InChI=1S/C17H21N5O.C2H6O4S/c1-14(23)18-13-17(22-11-5-4-6-12-22)20-19-15-7-9-16(10-8-15)21(2)3;1-2-6-7(3,4)5/h4-12,17H,13H2,1-3H3;2H2,1H3,(H,3,4,5)