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

Systemtic Name: 3-[2-[[4-(diethylamino)-3-methyl-phenyl]diazenyl]-6-methyl-1,3-benzothiazol-3-ium-3-yl]propanamide Openeye Name: 3-[2-[4-(diethylamino)-3-methyl-phenyl]azo-6-methyl-1,3-benzothiazol-3-ium-3-yl]propanamide CAS Name: 3-[2-[4-(diethylamino)-3-methylphenyl]azo-6-methyl-1,3-benzothiazol-3-ium-3-yl]propanamide IUPAC Name: 3-[2-[[4-(diethylamino)-3-methylphenyl]diazenyl]-6-methyl-1,3-benzothiazol-3-ium-3-yl]propanamide Traditional Name: 3-[2-[4-(diethylamino)-3-methyl-phenyl]azo-6-methyl-1,3-benzothiazol-3-ium-3-yl]propionamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-5-26(6-2)18-10-8-17(14-16(18)4)24-25-22-27(12-11-21(23)28)19-9-7-15(3)13-20(19)29-22/h7-10,13-14H,5-6,11-12H2,1-4H3,(H-,23,28)/p+1