4-(4-tert-butylphenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]butyramide Formula: C22H32N3O3S+ MolecularWeight: 418.57278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=NC(=CS2)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=NC(=CS2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H31N3O3S/c1-22(2,3)17-6-8-19(9-7-17)28-12-4-5-20(26)24-21-23-18(16-29-21)15-25-10-13-27-14-11-25/h6-9,16H,4-5,10-15H2,1-3H3,(H,23,24,26)/p+1