[2-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [2-[(1,3-benzodioxol-5-ylcarbonylamino)methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[(1,3-benzodioxole-5-carbonylamino)methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[(1,3-benzodioxole-5-carbonylamino)methyl]phenyl]methyl-diethylazanium Traditional Name: diethyl-[2-[(piperonyloylamino)methyl]benzyl]ammonium Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O3/c1-3-22(4-2)13-17-8-6-5-7-16(17)12-21-20(23)15-9-10-18-19(11-15)25-14-24-18/h5-11H,3-4,12-14H2,1-2H3,(H,21,23)/p+1