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

Systemtic Name: 3-[(6-chloranyl-1,3-benzothiazol-2-yl)-(4-dimethylaminophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[4-(dimethylamino)benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[(4-dimethylaminophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[4-(dimethylamino)benzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)-[4-(dimethylamino)benzoyl]amino]propyl-dimethyl-ammonium Formula: C21H26ClN4OS+ MolecularWeight: 417.97534

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H25ClN4OS/c1-24(2)12-5-13-26(20(27)15-6-9-17(10-7-15)25(3)4)21-23-18-11-8-16(22)14-19(18)28-21/h6-11,14H,5,12-13H2,1-4H3/p+1