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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3,4-dimethoxybenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3,4-dimethoxyphenyl)-oxomethyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3,4-dimethoxybenzoyl)-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)-veratroyl-amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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