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

Systemtic Name: 2-[ethyl-[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]ethyl-trimethyl-azanium phosphate Openeye Name: 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-trimethyl-ammonium phosphate CAS Name: 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-trimethylammonium phosphate IUPAC Name: 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]anilino]ethyl-trimethylazanium phosphate Traditional Name: 2-[N-ethyl-4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl-trimethyl-ammonium phosphate Formula: C21H27N6O4PS-2 MolecularWeight: 490.515641

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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.[O-]P(=O)([O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27N6S.H3O4P/c1-5-26(15-16-27(2,3)4)19-13-11-18(12-14-19)23-24-21-22-20(25-28-21)17-9-7-6-8-10-17;1-5(2,3)4/h6-14H,5,15-16H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3