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

Systemtic Name: 2-[ethyl-[4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]propan-1-ol Openeye Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]propan-1-ol CAS Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]-1-propanol IUPAC Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propan-1-ol Traditional Name: 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]propan-1-ol Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C)C(C)CO

Isomeric SMILES

CCN(C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C)C(C)CO

InChI

InChI=1S/C20H25N4O2S/c1-5-24(14(2)13-25)16-8-6-15(7-9-16)21-22-20-23(3)18-11-10-17(26-4)12-19(18)27-20/h6-12,14,25H,5,13H2,1-4H3/q+1