3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-(3-methoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-methoxybenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-[(3-methoxyphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3-methoxybenzoyl)-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[m-anisoyl-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N3O3S/c1-15-10-11-18(28-5)19-20(15)29-22(23-19)25(13-7-12-24(2)3)21(26)16-8-6-9-17(14-16)27-4/h6,8-11,14H,7,12-13H2,1-5H3/p+1