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

Systemtic Name: 3-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(4-ethanoylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-acetylbenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-acetylphenyl)-oxomethyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-acetylbenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-acetylbenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)C(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)C(=O)C)C

InChI

InChI=1S/C23H27N3O2S/c1-15-7-12-20-21(16(15)2)24-23(29-20)26(14-6-13-25(4)5)22(28)19-10-8-18(9-11-19)17(3)27/h7-12H,6,13-14H2,1-5H3/p+1