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

Systemtic Name: 3-[(4-dimethylaminophenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(dimethylamino)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-dimethylaminophenyl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(dimethylamino)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(dimethylamino)benzoyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H28N4OS/c1-16-8-6-9-19-20(16)23-22(28-19)26(15-7-14-24(2)3)21(27)17-10-12-18(13-11-17)25(4)5/h6,8-13H,7,14-15H2,1-5H3/p+1