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

Systemtic Name: 3-[(4-tert-butylphenyl)carbonyl-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[(4-tert-butylbenzoyl)-[4-(4-fluorophenyl)thiazol-2-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]-[4-(4-fluorophenyl)-2-thiazolyl]amino]propyl-diethylammonium IUPAC Name: 3-[(4-tert-butylbenzoyl)-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]propyl-diethylazanium Traditional Name: 3-[(4-tert-butylbenzoyl)-[4-(4-fluorophenyl)thiazol-2-yl]amino]propyl-diethyl-ammonium Formula: C27H35FN3OS+ MolecularWeight: 468.649703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34FN3OS/c1-6-30(7-2)17-8-18-31(25(32)21-9-13-22(14-10-21)27(3,4)5)26-29-24(19-33-26)20-11-15-23(28)16-12-20/h9-16,19H,6-8,17-18H2,1-5H3/p+1