N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(4-hydroxy-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Formula: C21H27N2O2S+ MolecularWeight: 371.51628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)O)C

InChI

InChI=1S/C21H26N2O2S/c1-15-3-6-20(13-16(15)2)26-19-7-4-17(5-8-19)22-21(25)14-23-11-9-18(24)10-12-23/h3-8,13,18,24H,9-12,14H2,1-2H3,(H,22,25)/p+1