4-[(4-methylphenyl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-(p-tolylsulfanylmethyl)benzamide CAS Name: 4-[[(4-methylphenyl)thio]methyl]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-[(4-methylphenyl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-[(p-tolylthio)methyl]benzamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)SCC2=CC=C(C=C2)C(=O)NCCC[NH+]3CCOCC3

InChI

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