2-[(3,4-dimethoxyphenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5,6-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=CC2=C(C=C1C)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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