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

Systemtic Name: [3-[[4-[(6-ethoxy-3-methyl-2H-1,3-benzothiazol-2-yl)diazenyl]-3-methyl-phenyl]-ethyl-amino]-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [3-[4-[(6-ethoxy-3-methyl-2H-1,3-benzothiazol-2-yl)azo]-N-ethyl-3-methyl-anilino]-2-hydroxy-propyl]-trimethyl-ammonium CAS Name: [3-[4-[(6-ethoxy-3-methyl-2H-1,3-benzothiazol-2-yl)azo]-N-ethyl-3-methylanilino]-2-hydroxypropyl]-trimethylammonium IUPAC Name: [3-[4-[(6-ethoxy-3-methyl-2H-1,3-benzothiazol-2-yl)diazenyl]-N-ethyl-3-methylanilino]-2-hydroxypropyl]-trimethylazanium Traditional Name: [3-[4-[(6-ethoxy-3-methyl-2H-1,3-benzothiazol-2-yl)azo]-N-ethyl-3-methyl-anilino]-2-hydroxy-propyl]-trimethyl-ammonium Formula: C25H38N5O2S+ MolecularWeight: 472.66652

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C[N+](C)(C)C)O)C1=CC(=C(C=C1)N=NC2N(C3=C(S2)C=C(C=C3)OCC)C)C

Isomeric SMILES

CCN(CC(C[N+](C)(C)C)O)C1=CC(=C(C=C1)N=NC2N(C3=C(S2)C=C(C=C3)OCC)C)C

InChI

InChI=1S/C25H38N5O2S/c1-8-29(16-20(31)17-30(5,6)7)19-10-12-22(18(3)14-19)26-27-25-28(4)23-13-11-21(32-9-2)15-24(23)33-25/h10-15,20,25,31H,8-9,16-17H2,1-7H3/q+1