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2,3-dihydro-1-benzofuran-5-ylmethyl-[3-(dimethylazaniumyl)propyl]-(furan-2-ylmethyl)azanium

2,3-dihydro-1-benzofuran-5-ylmethyl-[3-(dimethylazaniumyl)propyl]-(furan-2-ylmethyl)azanium

Systemtic Name:2,3-dihydro-1-benzofuran-5-ylmethyl-[3-(dimethylazaniumyl)propyl]-(furan-2-ylmethyl)azanium
Openeye Name:2,3-dihydrobenzofuran-5-ylmethyl-[3-(dimethylammonio)propyl]-(2-furylmethyl)ammonium
CAS Name:2,3-dihydrobenzofuran-5-ylmethyl-[3-(dimethylammonio)propyl]-(2-furanylmethyl)ammonium
IUPAC Name:2,3-dihydro-1-benzofuran-5-ylmethyl-[3-(dimethylazaniumyl)propyl]-(furan-2-ylmethyl)azanium
Traditional Name:coumaran-5-ylmethyl-[3-(dimethylammonio)propyl]-(2-furfuryl)ammonium
Formula: C19H28N2O2+2
MolecularWeight: 316.43782
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH+](CC1=CC2=C(C=C1)OCC2)CC3=CC=CO3


Isomeric SMILES

C[NH+](C)CCC[NH+](CC1=CC2=C(C=C1)OCC2)CC3=CC=CO3


InChI

InChI=1S/C19H26N2O2/c1-20(2)9-4-10-21(15-18-5-3-11-22-18)14-16-6-7-19-17(13-16)8-12-23-19/h3,5-7,11,13H,4,8-10,12,14-15H2,1-2H3/p+2


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