[5-(4-bromanyl-2-methyl-phenyl)furan-2-yl]methyl-[2-(2-hydroxyethylazaniumyl)ethyl]azanium

Systemtic Name: [5-(4-bromanyl-2-methyl-phenyl)furan-2-yl]methyl-[2-(2-hydroxyethylazaniumyl)ethyl]azanium Openeye Name: [5-(4-bromo-2-methyl-phenyl)-2-furyl]methyl-[2-(2-hydroxyethylammonio)ethyl]ammonium CAS Name: [5-(4-bromo-2-methylphenyl)-2-furanyl]methyl-[2-(2-hydroxyethylammonio)ethyl]ammonium IUPAC Name: [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[2-(2-hydroxyethylazaniumyl)ethyl]azanium Traditional Name: [5-(4-bromo-2-methyl-phenyl)-2-furyl]methyl-[2-(2-hydroxyethylammonio)ethyl]ammonium Formula: C16H23BrN2O2+2 MolecularWeight: 355.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)C2=CC=C(O2)C[NH2+]CC[NH2+]CCO

Isomeric SMILES

CC1=C(C=CC(=C1)Br)C2=CC=C(O2)C[NH2+]CC[NH2+]CCO

InChI

InChI=1S/C16H21BrN2O2/c1-12-10-13(17)2-4-15(12)16-5-3-14(21-16)11-19-7-6-18-8-9-20/h2-5,10,18-20H,6-9,11H2,1H3/p+2