furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 2-furylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 2-furanylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: furan-2-ylmethyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: 2-furfuryl-[4-(methylcarbamoyl)benzyl]-[4-(methylthio)benzyl]ammonium Formula: C22H25N2O2S+ MolecularWeight: 381.5111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](CC2=CC=C(C=C2)SC)CC3=CC=CO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](CC2=CC=C(C=C2)SC)CC3=CC=CO3

InChI

InChI=1S/C22H24N2O2S/c1-23-22(25)19-9-5-17(6-10-19)14-24(16-20-4-3-13-26-20)15-18-7-11-21(27-2)12-8-18/h3-13H,14-16H2,1-2H3,(H,23,25)/p+1