azanium 2-[4-(diethylamino)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate

Systemtic Name: azanium 2-[4-(diethylamino)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Openeye Name: ammonium 2-[4-(diethylamino)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate CAS Name: ammonium 2-[4-(diethylamino)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate IUPAC Name: azanium 2-[4-(diethylamino)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Traditional Name: ammonium 2-[4-(diethylamino)phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(S2)C(=C(C=C3)C)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NC3=C(S2)C(=C(C=C3)C)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C18H20N2O3S2.H3N/c1-4-20(5-2)14-9-7-13(8-10-14)18-19-15-11-6-12(3)17(16(15)24-18)25(21,22)23;/h6-11H,4-5H2,1-3H3,(H,21,22,23);1H3