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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-veratroyl-amino]ethyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H27N3O3S/c1-14-7-10-19-20(15(14)2)23-22(29-19)25(12-11-24(3)4)21(26)16-8-9-17(27-5)18(13-16)28-6/h7-10,13H,11-12H2,1-6H3/p+1