5-[(4-methylphenyl)methylsulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide

Systemtic Name: 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-5-(p-tolylmethylsulfanylmethyl)furan-2-carboxamide CAS Name: 5-[[(4-methylphenyl)methylthio]methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-2-furancarboxamide IUPAC Name: 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Traditional Name: 5-[[(4-methylbenzyl)thio]methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-2-furamide Formula: C21H29N2O3S+ MolecularWeight: 389.53156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC2=CC=C(O2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2=CC=C(O2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C21H28N2O3S/c1-17-3-5-18(6-4-17)15-27-16-19-7-8-20(26-19)21(24)22-9-2-10-23-11-13-25-14-12-23/h3-8H,2,9-16H2,1H3,(H,22,24)/p+1