2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[benzoyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[benzoyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[benzoyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[benzoyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C(=C2)C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS/c1-5-24(6-2)12-13-25(21(26)18-10-8-7-9-11-18)22-23-19-14-16(3)17(4)15-20(19)27-22/h7-11,14-15H,5-6,12-13H2,1-4H3/p+1