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

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (6-bromo-1,3-benzodioxol-5-yl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C18H20BrN2O3+ MolecularWeight: 392.267

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C18H19BrN2O3/c1-20-18(22)13-5-3-12(4-6-13)9-21(2)10-14-7-16-17(8-15(14)19)24-11-23-16/h3-8H,9-11H2,1-2H3,(H,20,22)/p+1