2-[(2,3-dimethoxyphenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2,3-dimethoxyphenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2,3-dimethoxybenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2,3-dimethoxyphenyl)-oxomethyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(2,3-dimethoxybenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-o-veratroyl-amino]ethyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=C(C(=CC=C3)OC)OC

InChI

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