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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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