[4-[[(5-bromanylfuran-2-yl)methylazaniumyl]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[(5-bromanylfuran-2-yl)methylazaniumyl]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[(5-bromo-2-furyl)methylammonio]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[(5-bromo-2-furanyl)methylammonio]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[(5-bromofuran-2-yl)methylazaniumyl]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[(5-bromo-2-furyl)methylammonio]methyl]benzyl]-diethyl-ammonium Formula: C17H25BrN2O+2 MolecularWeight: 353.2972

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)C[NH2+]CC2=CC=C(O2)Br

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)C[NH2+]CC2=CC=C(O2)Br

InChI

InChI=1S/C17H23BrN2O/c1-3-20(4-2)13-15-7-5-14(6-8-15)11-19-12-16-9-10-17(18)21-16/h5-10,19H,3-4,11-13H2,1-2H3/p+2