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

Systemtic Name: 3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-(3-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-(3-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-[(3-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-(3-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-m-toluoyl-amino]propyl-dimethyl-ammonium Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC(=CS2)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N(CCC[NH+](C)C)C2=NC(=CS2)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C24H29N3O3S/c1-17-8-6-9-18(14-17)23(28)27(13-7-12-26(2)3)24-25-21(16-31-24)20-15-19(29-4)10-11-22(20)30-5/h6,8-11,14-16H,7,12-13H2,1-5H3/p+1