[(1R)-1-(4-bromophenyl)propyl]-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium

Systemtic Name: [(1R)-1-(4-bromophenyl)propyl]-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(1R)-1-(4-bromophenyl)propyl]-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(1R)-1-(4-bromophenyl)propyl]-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(1R)-1-(4-bromophenyl)propyl]-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(1R)-1-(4-bromophenyl)propyl]-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]ammonium Formula: C20H21BrNO3+ MolecularWeight: 403.28964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C20H20BrNO3/c1-3-17(13-4-6-15(21)7-5-13)22-11-14-10-19(24)25-20-12(2)18(23)9-8-16(14)20/h4-10,17,22-23H,3,11H2,1-2H3/p+1/t17-/m1/s1