2-[1,3-benzothiazol-2-yl-(3,4,5-trimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(3,4,5-trimethoxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(3,4,5-trimethoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(3,4,5-trimethoxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(3,4,5-trimethoxybenzoyl)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=CC=CC=C2S1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

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

InChI

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