2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[3-(dimethylcarbamoyl)-5-(pyridin-2-ylcarbonylamino)phenyl]methyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[3-(dimethylcarbamoyl)-5-(pyridin-2-ylcarbonylamino)phenyl]methyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[3-(dimethylcarbamoyl)-5-(pyridine-2-carbonylamino)phenyl]methyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[3-[dimethylamino(oxo)methyl]-5-[[oxo(2-pyridinyl)methyl]amino]phenyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[3-(dimethylcarbamoyl)-5-(pyridine-2-carbonylamino)phenyl]methyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[3-(dimethylcarbamoyl)-5-picolinamido-benzyl]ammonium Formula: C25H27N4O4+ MolecularWeight: 447.50628

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CC=N2)C[NH2+]CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(C)C(=O)C1=CC(=CC(=C1)NC(=O)C2=CC=CC=N2)C[NH2+]CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H26N4O4/c1-29(2)25(31)19-11-18(12-20(14-19)28-24(30)21-5-3-4-8-27-21)16-26-15-17-6-7-22-23(13-17)33-10-9-32-22/h3-8,11-14,26H,9-10,15-16H2,1-2H3,(H,28,30)/p+1