[(1R)-1-(4-bromophenyl)propyl]-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: [(1R)-1-(4-bromophenyl)propyl]-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(1R)-1-(4-bromophenyl)propyl]-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(1R)-1-(4-bromophenyl)propyl]-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(1R)-1-(4-bromophenyl)propyl]-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(1R)-1-(4-bromophenyl)propyl]-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]ammonium Formula: C21H23BrNO3+ MolecularWeight: 417.31622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C(CC)C3=CC=C(C=C3)Br)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@H](CC)C3=CC=C(C=C3)Br)O

InChI

InChI=1S/C21H22BrNO3/c1-3-13-9-17-15(10-21(25)26-20(17)11-19(13)24)12-23-18(4-2)14-5-7-16(22)8-6-14/h5-11,18,23-24H,3-4,12H2,1-2H3/p+1/t18-/m1/s1