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

Systemtic Name: 3-[(4-tert-butylphenyl)carbonyl-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-tert-butylbenzoyl)-(4-phenylthiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]-(4-phenyl-2-thiazolyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-tert-butylbenzoyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-tert-butylbenzoyl)-(4-phenylthiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C25H32N3OS+ MolecularWeight: 422.60608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3OS/c1-25(2,3)21-14-12-20(13-15-21)23(29)28(17-9-16-27(4)5)24-26-22(18-30-24)19-10-7-6-8-11-19/h6-8,10-15,18H,9,16-17H2,1-5H3/p+1