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

Systemtic Name: 3-[[5-(4-bromanyl-2-methyl-phenyl)furan-2-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[5-(4-bromo-2-methyl-phenyl)-2-furyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[5-(4-bromo-2-methylphenyl)-2-furanyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[5-(4-bromo-2-methyl-phenyl)-2-furyl]methylammonio]propyl-dimethyl-ammonium Formula: C17H25BrN2O+2 MolecularWeight: 353.2972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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