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

Systemtic Name: N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline iodide Openeye Name: N-ethyl-3-methyl-4-(5-nitrothiazol-2-yl)azo-N-(2-pyridin-1-ium-1-ylethyl)aniline iodide CAS Name: N-ethyl-3-methyl-4-[(5-nitro-2-thiazolyl)azo]-N-[2-(1-pyridin-1-iumyl)ethyl]aniline iodide IUPAC Name: N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline iodide Traditional Name: ethyl-[3-methyl-4-(5-nitrothiazol-2-yl)azo-phenyl]-(2-pyridin-1-ium-1-ylethyl)amine iodide Formula: C19H21IN6O2S MolecularWeight: 524.37851

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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-])C.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N6O2S.HI/c1-3-24(12-11-23-9-5-4-6-10-23)16-7-8-17(15(2)13-16)21-22-19-20-14-18(28-19)25(26)27;/h4-10,13-14H,3,11-12H2,1-2H3;1H/q+1;/p-1