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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[(1R)-1-phenylethyl]ammonium Formula: C20H22NO3+ MolecularWeight: 324.39358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]C(C)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+][C@H](C)C3=CC=CC=C3)O

InChI

InChI=1S/C20H21NO3/c1-3-14-9-17-16(10-20(23)24-19(17)11-18(14)22)12-21-13(2)15-7-5-4-6-8-15/h4-11,13,21-22H,3,12H2,1-2H3/p+1/t13-/m1/s1