2-[ethyl-[4-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl-trimethyl-azanium sulfate

Systemtic Name: 2-[ethyl-[4-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)diazenyl]phenyl]amino]ethyl-trimethyl-azanium sulfate Openeye Name: 2-[N-ethyl-4-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)azo]anilino]ethyl-trimethyl-ammonium sulfate CAS Name: 2-[N-ethyl-4-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)azo]anilino]ethyl-trimethylammonium sulfate IUPAC Name: 2-[N-ethyl-4-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)diazenyl]anilino]ethyl-trimethylazanium sulfate Traditional Name: 2-[N-ethyl-4-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)azo]anilino]ethyl-trimethyl-ammonium sulfate Formula: C22H33N5O5S2 MolecularWeight: 511.65792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2N(C3=C(S2)C=C(C=C3)[OH+]C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2N(C3=C(S2)C=C(C=C3)[OH+]C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C22H32N5OS.H2O4S/c1-7-26(14-15-27(3,4)5)18-10-8-17(9-11-18)23-24-22-25(2)20-13-12-19(28-6)16-21(20)29-22;1-5(2,3)4/h8-13,16,22H,7,14-15H2,1-6H3;(H2,1,2,3,4)/q+1;/p-1