4-tert-butyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-tert-butyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-tert-butyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-tert-butyl-N-[4-(4-chlorophenyl)-2-thiazolyl]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-tert-butyl-N-[4-(4-chlorophenyl)thiazol-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C27H33ClN3O2S+ MolecularWeight: 499.08782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC(=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N(CCC[NH+]2CCOCC2)C3=NC(=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H32ClN3O2S/c1-27(2,3)22-9-5-21(6-10-22)25(32)31(14-4-13-30-15-17-33-18-16-30)26-29-24(19-34-26)20-7-11-23(28)12-8-20/h5-12,19H,4,13-18H2,1-3H3/p+1