[4-[[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[[2-(1,3-benzodioxole-5-carbonylamino)acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: diethyl-[4-[[[2-(piperonyloylamino)acetyl]amino]methyl]benzyl]ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H27N3O4/c1-3-25(4-2)14-17-7-5-16(6-8-17)12-23-21(26)13-24-22(27)18-9-10-19-20(11-18)29-15-28-19/h5-11H,3-4,12-15H2,1-2H3,(H,23,26)(H,24,27)/p+1