2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(4-methoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(4-methoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[(4-methoxyphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(4-methoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-p-anisoyl-amino]ethyl-dimethyl-ammonium Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-23(2)12-13-24(20(25)14-6-8-15(26-3)9-7-14)21-22-18-16(27-4)10-11-17(28-5)19(18)29-21/h6-11H,12-13H2,1-5H3/p+1