4-[[2-(1-butylpyridin-1-ium-4-yl)-1,3-benzothiazol-6-yl]diazenyl]-N,N-bis(2-methoxyethyl)aniline

Systemtic Name: 4-[[2-(1-butylpyridin-1-ium-4-yl)-1,3-benzothiazol-6-yl]diazenyl]-N,N-bis(2-methoxyethyl)aniline Openeye Name: 4-[[2-(1-butylpyridin-1-ium-4-yl)-1,3-benzothiazol-6-yl]azo]-N,N-bis(2-methoxyethyl)aniline CAS Name: 4-[[2-(1-butyl-4-pyridin-1-iumyl)-1,3-benzothiazol-6-yl]azo]-N,N-bis(2-methoxyethyl)aniline IUPAC Name: 4-[[2-(1-butylpyridin-1-ium-4-yl)-1,3-benzothiazol-6-yl]diazenyl]-N,N-bis(2-methoxyethyl)aniline Traditional Name: [4-[[2-(1-butylpyridin-1-ium-4-yl)-1,3-benzothiazol-6-yl]azo]phenyl]-bis(2-methoxyethyl)amine Formula: C28H34N5O2S+ MolecularWeight: 504.66686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)N=NC4=CC=C(C=C4)N(CCOC)CCOC

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)N=NC4=CC=C(C=C4)N(CCOC)CCOC

InChI

InChI=1S/C28H34N5O2S/c1-4-5-14-32-15-12-22(13-16-32)28-29-26-11-8-24(21-27(26)36-28)31-30-23-6-9-25(10-7-23)33(17-19-34-2)18-20-35-3/h6-13,15-16,21H,4-5,14,17-20H2,1-3H3/q+1