N-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride

Systemtic Name: N-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride Openeye Name: N-ethyl-4-(5-nitrothiazol-2-yl)azo-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride CAS Name: N-ethyl-4-[(5-nitro-2-thiazolyl)azo]-N-[2-(1-pyridin-1-iumyl)ethyl]aniline chloride IUPAC Name: N-ethyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline chloride Traditional Name: ethyl-[4-(5-nitrothiazol-2-yl)azophenyl]-(2-pyridin-1-ium-1-ylethyl)amine chloride Formula: C18H19ClN6O2S MolecularWeight: 418.90046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC=C(S3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C18H19N6O2S.ClH/c1-2-23(13-12-22-10-4-3-5-11-22)16-8-6-15(7-9-16)20-21-18-19-14-17(27-18)24(25)26;/h3-11,14H,2,12-13H2,1H3;1H/q+1;/p-1