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

Systemtic Name: [3-[[6-(1,3-benzodioxol-5-ylmethylamino)pyridin-3-yl]amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[[6-(1,3-benzodioxol-5-ylmethylamino)-3-pyridinyl]amino]-3-oxopropyl]ammonium IUPAC Name: [3-[[6-(1,3-benzodioxol-5-ylmethylamino)pyridin-3-yl]amino]-3-oxopropyl]azanium Traditional Name: [3-keto-3-[[6-(piperonylamino)-3-pyridyl]amino]propyl]ammonium Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O3/c17-6-5-16(21)20-12-2-4-15(19-9-12)18-8-11-1-3-13-14(7-11)23-10-22-13/h1-4,7,9H,5-6,8,10,17H2,(H,18,19)(H,20,21)/p+1