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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-(1-methyl-4-piperidin-1-iumyl)ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-(1-methylpiperidin-1-ium-4-yl)ammonium Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-17-7-5-14(6-8-17)18(2)12-13-3-4-15-16(11-13)20-10-9-19-15/h3-4,11,14H,5-10,12H2,1-2H3/p+2