(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(1R)-1-phenylbutyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)CC)O

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)CC)O

InChI

InChI=1S/C22H25NO3/c1-3-8-19(16-9-6-5-7-10-16)23-14-17-12-22(25)26-21-13-20(24)15(4-2)11-18(17)21/h5-7,9-13,19,23-24H,3-4,8,14H2,1-2H3/p+1/t19-/m1/s1