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

Systemtic Name: 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(4-methoxyphenyl)thiazol-2-yl]-(4-methylbenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-(4-methoxyphenyl)-2-thiazolyl]-[(4-methylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(4-methoxyphenyl)thiazol-2-yl]-p-toluoyl-amino]propyl-dimethyl-ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-17-6-8-19(9-7-17)22(27)26(15-5-14-25(2)3)23-24-21(16-29-23)18-10-12-20(28-4)13-11-18/h6-13,16H,5,14-15H2,1-4H3/p+1