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

Systemtic Name: 3-[(4-ethanoylphenyl)carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-acetylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-acetylphenyl)-oxomethyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-acetylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-acetylbenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-5-29-19-8-6-9-20-21(19)24-23(30-20)26(15-7-14-25(3)4)22(28)18-12-10-17(11-13-18)16(2)27/h6,8-13H,5,7,14-15H2,1-4H3/p+1