3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(3,4-dimethylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(6-bromanyl-1,3-benzothiazol-2-yl)-(3,4-dimethylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-[(3,4-dimethylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-bromo-1,3-benzothiazol-2-yl)-(3,4-dimethylbenzoyl)amino]propyl-dimethyl-ammonium Formula: C21H25BrN3OS+ MolecularWeight: 447.4117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)Br)C

InChI

InChI=1S/C21H24BrN3OS/c1-14-6-7-16(12-15(14)2)20(26)25(11-5-10-24(3)4)21-23-18-9-8-17(22)13-19(18)27-21/h6-9,12-13H,5,10-11H2,1-4H3/p+1