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

Systemtic Name: 3-[1,3-benzothiazol-2-yl-(4-dimethylaminophenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl-[4-(dimethylamino)benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[(4-dimethylaminophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl-[4-(dimethylamino)benzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl-[4-(dimethylamino)benzoyl]amino]propyl-dimethyl-ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H26N4OS/c1-23(2)14-7-15-25(21-22-18-8-5-6-9-19(18)27-21)20(26)16-10-12-17(13-11-16)24(3)4/h5-6,8-13H,7,14-15H2,1-4H3/p+1