3-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-ylmethyl)amino]propylazanium

Systemtic Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-ylmethyl)amino]propylazanium Openeye Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(3-pyridylmethyl)amino]propylammonium CAS Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(3-pyridinylmethyl)amino]propylammonium IUPAC Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-ylmethyl)amino]propylazanium Traditional Name: 3-[2,3-dihydro-1,4-benzodioxin-6-yl(3-pyridylmethyl)amino]propylammonium Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CCC[NH3+])CC3=CN=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CCC[NH3+])CC3=CN=CC=C3

InChI

InChI=1S/C17H21N3O2/c18-6-2-8-20(13-14-3-1-7-19-12-14)15-4-5-16-17(11-15)22-10-9-21-16/h1,3-5,7,11-12H,2,6,8-10,13,18H2/p+1