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

Systemtic Name: 3-[(3,5-dimethoxyphenyl)carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3,5-dimethoxybenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3,5-dimethoxyphenyl)-oxomethyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3,5-dimethoxybenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3,5-dimethoxybenzoyl)-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-15-8-9-20-21(16(15)2)24-23(30-20)26(11-7-10-25(3)4)22(27)17-12-18(28-5)14-19(13-17)29-6/h8-9,12-14H,7,10-11H2,1-6H3/p+1