N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline ethanoate

Systemtic Name: N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline ethanoate Openeye Name: N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate CAS Name: N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]-N-[2-(1-pyridin-1-iumyl)ethyl]aniline acetate IUPAC Name: N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate Traditional Name: ethyl-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]-(2-pyridin-1-ium-1-ylethyl)amine acetate Formula: C25H26N6O2S MolecularWeight: 474.57794

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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(=NS3)C4=CC=CC=C4.CC(=O)[O-]

Isomeric SMILES

CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC(=NS3)C4=CC=CC=C4.CC(=O)[O-]

InChI

InChI=1S/C23H23N6S.C2H4O2/c1-2-29(18-17-28-15-7-4-8-16-28)21-13-11-20(12-14-21)25-26-23-24-22(27-30-23)19-9-5-3-6-10-19;1-2(3)4/h3-16H,2,17-18H2,1H3;1H3,(H,3,4)/q+1;/p-1