[5-(4-bromanyl-3-methyl-phenyl)furan-2-yl]methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: [5-(4-bromanyl-3-methyl-phenyl)furan-2-yl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: [5-(4-bromo-3-methyl-phenyl)-2-furyl]methyl-[3-(methylammonio)propyl]ammonium CAS Name: [5-(4-bromo-3-methylphenyl)-2-furanyl]methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: [5-(4-bromo-3-methylphenyl)furan-2-yl]methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: [5-(4-bromo-3-methyl-phenyl)-2-furyl]methyl-[3-(methylammonio)propyl]ammonium Formula: C16H23BrN2O+2 MolecularWeight: 339.27062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN2O/c1-12-10-13(4-6-15(12)17)16-7-5-14(20-16)11-19-9-3-8-18-2/h4-7,10,18-19H,3,8-9,11H2,1-2H3/p+2