3-[(4-tert-butylphenyl)carbonyl-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-diethyl-azanium

Systemtic Name: 3-[(4-tert-butylphenyl)carbonyl-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-diethyl-azanium Openeye Name: 3-[(4-tert-butylbenzoyl)-(4-phenylthiazol-2-yl)amino]propyl-diethyl-ammonium CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]-(4-phenyl-2-thiazolyl)amino]propyl-diethylammonium IUPAC Name: 3-[(4-tert-butylbenzoyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-diethylazanium Traditional Name: 3-[(4-tert-butylbenzoyl)-(4-phenylthiazol-2-yl)amino]propyl-diethyl-ammonium Formula: C27H36N3OS+ MolecularWeight: 450.65924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC[NH+](CC)CCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H35N3OS/c1-6-29(7-2)18-11-19-30(25(31)22-14-16-23(17-15-22)27(3,4)5)26-28-24(20-32-26)21-12-9-8-10-13-21/h8-10,12-17,20H,6-7,11,18-19H2,1-5H3/p+1