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

Systemtic Name: [(1R)-1-(4-bromophenyl)propyl]-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]azanium Openeye Name: [(1R)-1-(4-bromophenyl)propyl]-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: [(1R)-1-(4-bromophenyl)propyl]-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]ammonium IUPAC Name: [(1R)-1-(4-bromophenyl)propyl]-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]azanium Traditional Name: [(1R)-1-(4-bromophenyl)propyl]-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]ammonium Formula: C21H23BrNO2+ MolecularWeight: 401.31682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrNO2/c1-4-19(15-6-8-17(22)9-7-15)23-12-16-11-20(24)25-21-14(3)13(2)5-10-18(16)21/h5-11,19,23H,4,12H2,1-3H3/p+1/t19-/m1/s1