2-[[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]propan-2-ol

Systemtic Name: 2-[[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]phenyl]amino]propan-2-ol Openeye Name: 2-[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]propan-2-ol CAS Name: 2-[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]-2-propanol IUPAC Name: 2-[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]propan-2-ol Traditional Name: 2-[5-ethyl-2-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)azo]anilino]propan-2-ol Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C)NC(C)(C)O

Isomeric SMILES

CCC1=CC(=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C)NC(C)(C)O

InChI

InChI=1S/C20H24N4O2S/c1-6-13-7-9-15(16(11-13)21-20(2,3)25)22-23-19-24(4)17-10-8-14(26-5)12-18(17)27-19/h7-12,25H,6H2,1-5H3/p+1