[(1R)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-[2-(2-methylpropanoylamino)ethyl]azanium

Systemtic Name: [(1R)-1-(5-bromanyl-1-benzofuran-2-yl)ethyl]-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: [(1R)-1-(5-bromobenzofuran-2-yl)ethyl]-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: [(1R)-1-(5-bromo-2-benzofuranyl)ethyl]-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: [(1R)-1-(5-bromo-1-benzofuran-2-yl)ethyl]-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: [(1R)-1-(5-bromobenzofuran-2-yl)ethyl]-[2-(isobutyrylamino)ethyl]ammonium Formula: C16H22BrN2O2+ MolecularWeight: 354.26208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]C(C)C1=CC2=C(O1)C=CC(=C2)Br

Isomeric SMILES

C[C@H](C1=CC2=C(O1)C=CC(=C2)Br)[NH2+]CCNC(=O)C(C)C

InChI

InChI=1S/C16H21BrN2O2/c1-10(2)16(20)19-7-6-18-11(3)15-9-12-8-13(17)4-5-14(12)21-15/h4-5,8-11,18H,6-7H2,1-3H3,(H,19,20)/p+1/t11-/m1/s1