(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-(furan-2-ylmethyl)-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-(furan-2-ylmethyl)-(2-oxidanylidene-2-phenylazanyl-ethyl)azanium Openeye Name: (2-anilino-2-oxo-ethyl)-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-(2-furylmethyl)ammonium CAS Name: (2-anilino-2-oxoethyl)-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-(2-furanylmethyl)ammonium IUPAC Name: (2-anilino-2-oxoethyl)-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-(furan-2-ylmethyl)azanium Traditional Name: (2-anilino-2-keto-ethyl)-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-(2-furfuryl)ammonium Formula: C22H22BrN2O4+ MolecularWeight: 458.32508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)C[NH+](CC3=CC=CO3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)C[NH+](CC3=CC=CO3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H21BrN2O4/c23-19-12-21-20(28-9-10-29-21)11-16(19)13-25(14-18-7-4-8-27-18)15-22(26)24-17-5-2-1-3-6-17/h1-8,11-12H,9-10,13-15H2,(H,24,26)/p+1