(6-chloranyl-4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: (6-chloranyl-4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (6-chloro-4-ethyl-7-hydroxy-2-oxo-chromen-8-yl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: (6-chloro-4-ethyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: (6-chloro-4-ethyl-7-hydroxy-2-oxochromen-8-yl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: (6-chloro-4-ethyl-7-hydroxy-2-keto-chromen-8-yl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C16H21ClNO4+ MolecularWeight: 326.79524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C(C)(C)CO

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]C(C)(C)CO

InChI

InChI=1S/C16H20ClNO4/c1-4-9-5-13(20)22-15-10(9)6-12(17)14(21)11(15)7-18-16(2,3)8-19/h5-6,18-19,21H,4,7-8H2,1-3H3/p+1