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

Systemtic Name: 2-[(4-ethanoylphenyl)carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-acetylbenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(4-acetylphenyl)-oxomethyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-acetylbenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-acetylbenzoyl)-(6-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H25N3O3S/c1-5-28-18-10-11-19-20(14-18)29-22(23-19)25(13-12-24(3)4)21(27)17-8-6-16(7-9-17)15(2)26/h6-11,14H,5,12-13H2,1-4H3/p+1