2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[benzoyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[benzoyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[benzoyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[benzoyl-(4,5-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=CC(=C2C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)C3=CC=CC=C3

InChI

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