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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-15-8-6-9-19-20(15)23-22(29-19)25(13-7-12-24(2)3)21(26)16-10-11-17(27-4)18(14-16)28-5/h6,8-11,14H,7,12-13H2,1-5H3/p+1