dimethyl-[2-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(1-oxo-2-phenylethyl)amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methylsulfonyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl]azanium Traditional Name: 2-[(4-mesyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-dimethyl-ammonium Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=CC=C2S(=O)(=O)C)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S2/c1-22(2)12-13-23(18(24)14-15-8-5-4-6-9-15)20-21-19-16(27-20)10-7-11-17(19)28(3,25)26/h4-11H,12-14H2,1-3H3/p+1