2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(1-propylpiperidin-1-ium-4-yl)azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(1-propylpiperidin-1-ium-4-yl)azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(1-propylpiperidin-1-ium-4-yl)ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(1-propyl-4-piperidin-1-iumyl)ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(1-propylpiperidin-1-ium-4-yl)azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-(1-propylpiperidin-1-ium-4-yl)ammonium Formula: C17H28N2O2+2 MolecularWeight: 292.41642

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH2+]CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H26N2O2/c1-2-7-19-8-5-15(6-9-19)18-13-14-3-4-16-17(12-14)21-11-10-20-16/h3-4,12,15,18H,2,5-11,13H2,1H3/p+2