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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[(1R)-1-methylolpropyl]ammonium Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-3-10-5-13-11(8-17-12(4-2)9-18)6-16(20)21-15(13)7-14(10)19/h5-7,12,17-19H,3-4,8-9H2,1-2H3/p+1/t12-/m1/s1