2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]acetamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3)C

InChI

InChI=1S/C22H28N2O2S/c1-17-7-8-21(13-18(17)2)27-16-22(25)23-14-19-5-3-4-6-20(19)15-24-9-11-26-12-10-24/h3-8,13H,9-12,14-16H2,1-2H3,(H,23,25)/p+1