3-[2-[[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide

Systemtic Name: 3-[2-[[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide Openeye Name: 3-[2-[4-(diethylamino)phenyl]azo-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide CAS Name: 3-[2-[4-(diethylamino)phenyl]azo-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide IUPAC Name: 3-[2-[[4-(diethylamino)phenyl]diazenyl]-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propanamide Traditional Name: 3-[2-[4-(diethylamino)phenyl]azo-6-ethoxy-1,3-benzothiazol-3-ium-3-yl]propionamide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OCC)CCC(=O)N

InChI

InChI=1S/C22H27N5O2S/c1-4-26(5-2)17-9-7-16(8-10-17)24-25-22-27(14-13-21(23)28)19-12-11-18(29-6-3)15-20(19)30-22/h7-12,15H,4-6,13-14H2,1-3H3,(H-,23,28)/p+1