3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-[(4-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-p-toluoyl-amino]propyl-dimethyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-15-7-9-18(10-8-15)21(26)25(12-6-11-24(4)5)22-23-19-13-16(2)17(3)14-20(19)27-22/h7-10,13-14H,6,11-12H2,1-5H3/p+1