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

Systemtic Name: 2-[(2,4-dimethylphenyl)carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,4-dimethylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,4-dimethylphenyl)-oxomethyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,4-dimethylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2,4-dimethylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=C(C=C(C=C3)C)C

InChI

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