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

Systemtic Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(4-methoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-[(4-methoxyphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-p-anisoyl-amino]propyl-dimethyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-23(2)13-6-14-24(20(25)15-9-11-16(26-3)12-10-15)21-22-19-17(27-4)7-5-8-18(19)28-21/h5,7-12H,6,13-14H2,1-4H3/p+1