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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[(1S)-1-methylbutyl]ammonium Formula: C17H24NO3+ MolecularWeight: 290.37736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC(=O)OC2=CC(=C(C=C12)CC)O

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC(=O)OC2=CC(=C(C=C12)CC)O

InChI

InChI=1S/C17H23NO3/c1-4-6-11(3)18-10-13-8-17(20)21-16-9-15(19)12(5-2)7-14(13)16/h7-9,11,18-19H,4-6,10H2,1-3H3/p+1/t11-/m0/s1