2-[ethyl-[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]ethyl-trimethyl-azanium ethanoate

Systemtic Name: 2-[ethyl-[3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]ethyl-trimethyl-azanium ethanoate Openeye Name: 2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-trimethyl-ammonium acetate CAS Name: 2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-trimethylammonium acetate IUPAC Name: 2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium acetate Traditional Name: 2-[N-ethyl-3-methyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-trimethyl-ammonium acetate Formula: C24H32N6O2S MolecularWeight: 468.61488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+](C)(C)C)C1=CC(=C(C=C1)N=NC2=NC(=NS2)C3=CC=CC=C3)C.CC(=O)[O-]

Isomeric SMILES

CCN(CC[N+](C)(C)C)C1=CC(=C(C=C1)N=NC2=NC(=NS2)C3=CC=CC=C3)C.CC(=O)[O-]

InChI

InChI=1S/C22H29N6S.C2H4O2/c1-6-27(14-15-28(3,4)5)19-12-13-20(17(2)16-19)24-25-22-23-21(26-29-22)18-10-8-7-9-11-18;1-2(3)4/h7-13,16H,6,14-15H2,1-5H3;1H3,(H,3,4)/q+1;/p-1