diethyl-[2-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl]azanium Openeye Name: 2-[benzoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[benzoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[benzoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[benzoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC(=C2S1)C)OC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC(=C2S1)C)OC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-5-24(6-2)14-15-25(21(26)17-10-8-7-9-11-17)22-23-19-18(27-4)13-12-16(3)20(19)28-22/h7-13H,5-6,14-15H2,1-4H3/p+1