2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-ethanoylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-ethanoylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-acetylbenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-acetylphenyl)-oxomethyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-acetylbenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-acetylbenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H25N3O2S/c1-14-12-19-20(13-15(14)2)28-22(23-19)25(11-10-24(4)5)21(27)18-8-6-17(7-9-18)16(3)26/h6-9,12-13H,10-11H2,1-5H3/p+1