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

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[benzoyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[benzoyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[benzoyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[benzoyl-(4-ethoxy-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)OCC)C(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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