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

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]ethanamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-2-(o-tolylsulfanyl)acetamide CAS Name: 2-[(2-methylphenyl)thio]-N-[[4-(4-morpholin-4-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]acetamide Traditional Name: N-[4-(morpholin-4-ium-4-ylmethyl)benzyl]-2-(o-tolylthio)acetamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C21H26N2O2S/c1-17-4-2-3-5-20(17)26-16-21(24)22-14-18-6-8-19(9-7-18)15-23-10-12-25-13-11-23/h2-9H,10-16H2,1H3,(H,22,24)/p+1