2-(4-tert-butylphenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-tert-butylphenyl)thio]-N-[4-(4-morpholin-4-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-tert-butylphenyl)thio]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C23H30N2O2S/c1-23(2,3)19-6-10-21(11-7-19)28-17-22(26)24-20-8-4-18(5-9-20)16-25-12-14-27-15-13-25/h4-11H,12-17H2,1-3H3,(H,24,26)/p+1