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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(2,4-dimethylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(2,4-dimethylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(2,4-dimethylphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(2,4-dimethylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(2,4-dimethylbenzoyl)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=CC=CC=C2S1)C(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

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

InChI

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