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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-veratroyl-amino]ethyl]ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H25N3O3S/c1-14-7-6-8-18-19(14)22-21(28-18)24(12-11-23(2)3)20(25)15-9-10-16(26-4)17(13-15)27-5/h6-10,13H,11-12H2,1-5H3/p+1