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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[(1S)-2-methyl-1-phenyl-propyl]ammonium Formula: C22H26NO3+ MolecularWeight: 352.44674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO3/c1-4-15-10-18-17(11-21(25)26-20(18)12-19(15)24)13-23-22(14(2)3)16-8-6-5-7-9-16/h5-12,14,22-24H,4,13H2,1-3H3/p+1/t22-/m0/s1