2-azaniumylethyl-[(3-bromophenyl)methyl]-(furan-2-ylmethyl)azanium

Systemtic Name: 2-azaniumylethyl-[(3-bromophenyl)methyl]-(furan-2-ylmethyl)azanium Openeye Name: 2-azaniumylethyl-[(3-bromophenyl)methyl]-(2-furylmethyl)ammonium CAS Name: 2-ammonioethyl-[(3-bromophenyl)methyl]-(2-furanylmethyl)ammonium IUPAC Name: 2-azaniumylethyl-[(3-bromophenyl)methyl]-(furan-2-ylmethyl)azanium Traditional Name: 2-ammonioethyl-(3-bromobenzyl)-(2-furfuryl)ammonium Formula: C14H19BrN2O+2 MolecularWeight: 311.21746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C[NH+](CC[NH3+])CC2=CC=CO2

Isomeric SMILES

C1=CC(=CC(=C1)Br)C[NH+](CC[NH3+])CC2=CC=CO2

InChI

InChI=1S/C14H17BrN2O/c15-13-4-1-3-12(9-13)10-17(7-6-16)11-14-5-2-8-18-14/h1-5,8-9H,6-7,10-11,16H2/p+2