1,3-benzodioxol-5-ylmethyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(pyridine-3-carbonylamino)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[[oxo(3-pyridinyl)methyl]amino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(pyridine-3-carbonylamino)ethyl]azanium Traditional Name: 2-nicotinamidoethyl(piperonyl)ammonium Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCNC(=O)C3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C16H17N3O3/c20-16(13-2-1-5-17-10-13)19-7-6-18-9-12-3-4-14-15(8-12)22-11-21-14/h1-5,8,10,18H,6-7,9,11H2,(H,19,20)/p+1