2-[(3-methylphenyl)methylsulfanyl]-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(m-tolylmethylsulfanyl)acetamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(3-methylbenzyl)thio]-N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]acetamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H28N2O2S/c1-18-3-2-4-21(13-18)16-27-17-22(25)23-14-19-5-7-20(8-6-19)15-24-9-11-26-12-10-24/h2-8,13H,9-12,14-17H2,1H3,(H,23,25)/p+1