methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (6-hydroxy-1,3-benzodioxol-5-yl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C18H20N2O4/c1-19-18(22)13-5-3-12(4-6-13)9-20(2)10-14-7-16-17(8-15(14)21)24-11-23-16/h3-8,21H,9-11H2,1-2H3,(H,19,22)/p+1