2-[ethyl-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]ethyl-trimethyl-azanium diethanoate

Systemtic Name: 2-[ethyl-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]ethyl-trimethyl-azanium diethanoate Openeye Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]ethyl-trimethyl-ammonium diacetate CAS Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]ethyl-trimethylammonium diacetate IUPAC Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethyl-trimethylazanium diacetate Traditional Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]ethyl-trimethyl-ammonium diacetate Formula: C26H37N5O5S MolecularWeight: 531.66748

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.CC(=O)[O-].CC(=O)[O-]

Isomeric SMILES

CCN(CC[N+](C)(C)C)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C.CC(=O)[O-].CC(=O)[O-]

InChI

InChI=1S/C22H31N5OS.2C2H4O2/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;2*1-2(3)4/h8-13,16H,7,14-15H2,1-6H3;2*1H3,(H,3,4)/q+2;;/p-2