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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S,2S)-2-methylcyclohexyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[(1S,2S)-2-methylcyclohexyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(1S,2S)-2-methylcyclohexyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(1S,2S)-2-methylcyclohexyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[(1S,2S)-2-methylcyclohexyl]ammonium Formula: C19H26NO3+ MolecularWeight: 316.41464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C3CCCCC3C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@H]3CCCC[C@@H]3C)O

InChI

InChI=1S/C19H25NO3/c1-3-13-8-15-14(9-19(22)23-18(15)10-17(13)21)11-20-16-7-5-4-6-12(16)2/h8-10,12,16,20-21H,3-7,11H2,1-2H3/p+1/t12-,16-/m0/s1