[4-[[6-(1,3-benzodioxol-5-ylmethylamino)pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[6-(1,3-benzodioxol-5-ylmethylamino)pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-(1,3-benzodioxol-5-ylmethylamino)pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[[6-(piperonylamino)-3-pyridyl]amino]butyl]ammonium Formula: C17H21N4O3+ MolecularWeight: 329.37364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC=C(C=C3)NC(=O)CCC[NH3+]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC=C(C=C3)NC(=O)CCC[NH3+]

InChI

InChI=1S/C17H20N4O3/c18-7-1-2-17(22)21-13-4-6-16(20-10-13)19-9-12-3-5-14-15(8-12)24-11-23-14/h3-6,8,10H,1-2,7,9,11,18H2,(H,19,20)(H,21,22)/p+1