[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]methyl-dibutyl-azanium

Systemtic Name: [4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]methyl-dibutyl-azanium Openeye Name: [4-(1,3-benzodioxole-5-carbonylamino)phenyl]methyl-dibutyl-ammonium CAS Name: [4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]methyl-dibutylammonium IUPAC Name: [4-(1,3-benzodioxole-5-carbonylamino)phenyl]methyl-dibutylazanium Traditional Name: dibutyl-[4-(piperonyloylamino)benzyl]ammonium Formula: C23H31N2O3+ MolecularWeight: 383.50384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-3-5-13-25(14-6-4-2)16-18-7-10-20(11-8-18)24-23(26)19-9-12-21-22(15-19)28-17-27-21/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,24,26)/p+1