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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC

InChI

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